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Record - 1 of 24   [TOP]
Compound IDNVIC0002
Compound Structure
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InhibitorCepharanthine
SMILESCN1CCC2=CC3=C(C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3
PubChem ID 10206
Drug Bank IDDB16824
ChemSpider ID9791
Targetattachment glycoprotein (Niv-G)
Assay Typemolecular docking and simulation
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)606.71
H-bond Acceptor8
H-bond Donor0
No. of Rotatable Bonds2
LogP6.75
Topological Polar Surface Area (Å)61.86
PUBMED ID36808582
Referencehttps://pubmed.ncbi.nlm.nih.gov/36808582/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 2 of 24   [TOP]
Compound IDNVIC0004
Compound Structure
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Inhibitor1-acetyl-17-[3-(trifluoromethyl)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
SMILESCC(=O)C12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=CC(=C6)C(F)(F)F
PubChem ID 1037027
Drug Bank ID\N
ChemSpider ID891395
Targetattachment glycoprotein (Niv-G)
Assay Typevirtual screening, molecular docking and ADMET prediction
Assay DescriptionADME/Tox filter server
Assay SourceZINC database
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)461.44
H-bond Acceptor7
H-bond Donor0
No. of Rotatable Bonds3
LogP7.66
Topological Polar Surface Area (Å)54.45
PUBMED ID\N
Referencehttps://www.omicsonline.org/open-access/virtual-screening-for-identification-of-small-lead-compound-inhibitors-ofnipah-virus-attachment-glycoprotein-2153-0645-1000180.pdf
Curator Email IDnishisharmacool14@gmail.com

                  
Record - 3 of 24   [TOP]
Compound IDNVIC0005
Compound Structure
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InhibitorG3
SMILESO=C(CSC1=NN=NN1C1=CC=CC2=C1C=CC=C2)N1CCCC2=C1C=CC=C2
PubChem ID 1042364
Drug Bank ID\N
ChemSpider ID894998
Targetattachment glycoprotein (Niv-G)
Assay Typemolecular docking and simulation
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)401.49
H-bond Acceptor6
H-bond Donor0
No. of Rotatable Bonds5
LogP3.95
Topological Polar Surface Area (Å)89.21
PUBMED ID33450550
Referencehttps://pubmed.ncbi.nlm.nih.gov/33450550/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 4 of 24   [TOP]
Compound IDNVIC0011
Compound Structure
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InhibitorTanshinone I
SMILESCC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C
PubChem ID 114917
Drug Bank ID\N
ChemSpider ID\N
Targetattachment glycoprotein (Niv-G)
Assay Typemolecular docking and simulation
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)276.28
H-bond Acceptor3
H-bond Donor0
No. of Rotatable Bonds0
LogP4.10
Topological Polar Surface Area (Å)47.28
PUBMED ID38048723
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC10746367/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 5 of 24   [TOP]
Compound IDNVIC0036
Compound Structure
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Inhibitor(5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-2-[(2R,6R)-2,6-dimethylmor pholin-4-yl]-1,3-thiazol-4-one
SMILESCC1CN(CC(O1)C)C2=NC(=O)C(=CC3=CN(N=C3C4=CC5=CC=CC=C5O4)C6=CC=CC=C6)S2
PubChem ID 1784648
Drug Bank ID\N
ChemSpider ID1402075
Targetattachment glycoprotein (Niv-G)
Assay Typevirtual screening, molecular docking and ADMET prediction
Assay DescriptionADME/Tox filter server
Assay SourceZINC database
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)484.58
H-bond Acceptor6
H-bond Donor0
No. of Rotatable Bonds4
LogP6.63
Topological Polar Surface Area (Å)97.64
PUBMED ID\N
Referencehttps://www.omicsonline.org/open-access/virtual-screening-for-identification-of-small-lead-compound-inhibitors-ofnipah-virus-attachment-glycoprotein-2153-0645-1000180.pdf
Curator Email IDnishisharmacool14@gmail.com

                  
Record - 6 of 24   [TOP]
Compound IDNVIC0041
Compound Structure
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InhibitorG1
SMILESCC1=CC=C(CN2C(CO)=CN=C2SCC(=O)N2CCCC3=C2C=CC=C3)C=C1
PubChem ID 22576158
Drug Bank ID\N
ChemSpider ID20426133
Targetattachment glycoprotein (Niv-G)
Assay Typemolecular docking and simulation
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)407.53
H-bond Acceptor5
H-bond Donor1
No. of Rotatable Bonds7
LogP3.87
Topological Polar Surface Area (Å)83.66
PUBMED ID33450550
Referencehttps://pubmed.ncbi.nlm.nih.gov/33450550/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 7 of 24   [TOP]
Compound IDNVIC0042
Compound Structure
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InhibitorG2
SMILESCN1C(=O)N(C)C2=NC(=NC(SCC(=O)NCCC3=CC=CC=C3)=C2C1=O)C1=CC=CO1
PubChem ID 22581503
Drug Bank ID\N
ChemSpider ID20433096
Targetattachment glycoprotein (Niv-G)
Assay Typemolecular docking and simulation
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)451.50
H-bond Acceptor9
H-bond Donor1
No. of Rotatable Bonds8
LogP2.13
Topological Polar Surface Area (Å)137.32
PUBMED ID33450550
Referencehttps://pubmed.ncbi.nlm.nih.gov/33450550/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 8 of 24   [TOP]
Compound IDNVIC0043
Compound Structure
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InhibitorG4
SMILESC1CC(OC1)CNC(=O)C(=O)NC2=C3CSCC3=NN2C4=CC=C(C=C4)F
PubChem ID 22584902
Drug Bank ID\N
ChemSpider ID20439076
Targetattachment glycoprotein (Niv-G)
Assay Typemolecular docking and simulation
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)390.43
H-bond Acceptor8
H-bond Donor2
No. of Rotatable Bonds7
LogP2.45
Topological Polar Surface Area (Å)110.55
PUBMED ID33450550
Referencehttps://pubmed.ncbi.nlm.nih.gov/33450550/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 9 of 24   [TOP]
Compound IDNVIC0045
Compound Structure
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Inhibitor1-N,4-N-bis(3-phenylphenyl)piperazine-1,4-dicarboxamide
SMILESC1CN(CCN1C(=O)NC2=CC=CC(=C2)C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C5=CC=CC=C5
PubChem ID 235811
Drug Bank ID\N
ChemSpider ID205764
Targetattachment glycoprotein (Niv-G)
Assay Typevirtual screening, molecular docking and ADMET prediction
Assay DescriptionADME/Tox filter server
Assay SourceNCI diversity set-II
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)476.60
H-bond Acceptor6
H-bond Donor2
No. of Rotatable Bonds8
LogP9.99
Topological Polar Surface Area (Å)64.68
PUBMED ID\N
Referencehttps://www.omicsonline.org/open-access/virtual-screening-for-identification-of-small-lead-compound-inhibitors-ofnipah-virus-attachment-glycoprotein-2153-0645-1000180.pdf
Curator Email IDnishisharmacool14@gmail.com

                  
Record - 10 of 24   [TOP]
Compound IDNVIC0046
Compound Structure
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Inhibitor4-[(1-{[4-(3-chlorophenyl)-1-methyl-2-oxo-1,2-dihydroquinolin-6-yl]methyl}-1H-imidazol-5-yl)(hydroxy)methyl]benzonitrile
SMILESCN1C2=C(C=C(C=C2)CN3C=NC=C3C(C4=CC=C(C=C4)C#N)O)C(=CC1=O)C5=CC(=CC=C5)Cl
PubChem ID 23646770
Drug Bank ID\N
ChemSpider ID\N
Targetattachment glycoprotein (Niv-G)
Assay Typemolecular docking and simulation
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)480.94
H-bond Acceptor6
H-bond Donor1
No. of Rotatable Bonds5
LogP5.06
Topological Polar Surface Area (Å)83.84
PUBMED ID37442011
Referencehttps://pubmed.ncbi.nlm.nih.gov/37442011/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 11 of 24   [TOP]
Compound IDNVIC0060
Compound Structure
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Inhibitor9-dioxo-8-azaspiro[4.4]nonan-8-yl)-3-methylphenyl]-2-methylphenyl]-8-azaspiro[4.4]nonane-7,9-dione
SMILESCC1=C(C=CC(=C1)C2=CC(=C(C=C2)N3C(=O)CC4(C3=O)CCCC4)C)N5C(=O)CC6(C5=O)CCCC6
PubChem ID 328761
Drug Bank ID\N
ChemSpider ID291201
Targetattachment glycoprotein (Niv-G)
Assay Typevirtual screening, molecular docking and ADMET prediction
Assay DescriptionADME/Tox filter server
Assay SourceNCI diversity set-II
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)484.60
H-bond Acceptor6
H-bond Donor0
No. of Rotatable Bonds3
LogP5.40
Topological Polar Surface Area (Å)74.76
PUBMED ID\N
Referencehttps://www.omicsonline.org/open-access/virtual-screening-for-identification-of-small-lead-compound-inhibitors-ofnipah-virus-attachment-glycoprotein-2153-0645-1000180.pdf
Curator Email IDnishisharmacool14@gmail.com

                  
Record - 12 of 24   [TOP]
Compound IDNVIC0063
Compound Structure
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InhibitorHypericin
SMILESCC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C)O)O)O
PubChem ID 3663
Drug Bank IDDB13014
ChemSpider ID4444511
Targetattachment glycoprotein (Niv-G)
Assay Typemolecular docking and simulation
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)504.44
H-bond Acceptor8
H-bond Donor6
No. of Rotatable Bonds0
LogP5.76
Topological Polar Surface Area (Å)155.52
PUBMED ID36808582
Referencehttps://pubmed.ncbi.nlm.nih.gov/36808582/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 13 of 24   [TOP]
Compound IDNVIC0071
Compound Structure
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InhibitorNaringenin
SMILESC1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
PubChem ID 439246
Drug Bank IDDB03467
ChemSpider ID388383
Targetattachment glycoprotein (Niv-G)
Assay Typemolecular docking and simulation
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)272.25
H-bond Acceptor5
H-bond Donor3
No. of Rotatable Bonds1
LogP2.51
Topological Polar Surface Area (Å)86.99
PUBMED ID37180429
Referencehttps://pubmed.ncbi.nlm.nih.gov/37180429/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 14 of 24   [TOP]
Compound IDNVIC0094
Compound Structure
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Inhibitor5-(1,3-Benzodioxol-5-yl)-2-[(3-fluorobenzyl)sulfanyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
SMILESFC1=CC=CC(CSC2=NC(=O)C3=C(NC(=O)CC3C3=CC4=C(OCO4)C=C3)N2)=C1
PubChem ID \N
Drug Bank ID\N
ChemSpider ID\N
Targetattachment glycoprotein (Niv-G)
Assay Typemolecular docking and simulation
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)425.43
H-bond Acceptor8
H-bond Donor2
No. of Rotatable Bonds4
LogP3.54
Topological Polar Surface Area (Å)118.61
PUBMED ID36036362
Referencehttps://pubmed.ncbi.nlm.nih.gov/36036362/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 15 of 24   [TOP]
Compound IDNVIC0095
Compound Structure
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InhibitorRSV604
SMILESC1=CC=C(C=C1)C2=N[C@@H](C(=O)NC3=CC=CC=C32)NC(=O)NC4=CC=CC=C4F
PubChem ID 5279172
Drug Bank IDDB15197
ChemSpider ID4442963
Targetattachment glycoprotein (Niv-G)
Assay Typemolecular docking and simulation
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)388.39
H-bond Acceptor7
H-bond Donor3
No. of Rotatable Bonds5
LogP3.80
Topological Polar Surface Area (Å)82.59
PUBMED ID35744699
Referencehttps://pubmed.ncbi.nlm.nih.gov/35744699/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 16 of 24   [TOP]
Compound IDNVIC0103
Compound Structure
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InhibitorSerpentinine
SMILESCC=C1CN2CCC3=C(C2CC1C(CC4=C[N+]5=C(CC6C(C5)C(OC=C6C(=O)OC)C)C7=C4C8=CC=CC=C8N7)C(=O)OC)NC9=CC=CC=C39
PubChem ID 5351576
Drug Bank ID\N
ChemSpider ID28424374
Targetattachment glycoprotein (Niv-G)
Assay Typemolecular docking and simulation
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)685.83
H-bond Acceptor8
H-bond Donor2
No. of Rotatable Bonds7
LogP6.19
Topological Polar Surface Area (Å)100.53
PUBMED ID36473711
Referencehttps://pubmed.ncbi.nlm.nih.gov/36473711/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 17 of 24   [TOP]
Compound IDNVIC0120
Compound Structure
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Inhibitor5,7-dichloro-4-hydroxy-3-[3-(pyrimidin-5-yl)propylthio)-2-(1H)-quinolone
SMILESC1=C(C=C(C2=C1NC(=O)C(=C2O)SCCCC3=CN=CN=C3)Cl)Cl
PubChem ID 67726448
Drug Bank ID\N
ChemSpider ID\N
Targetattachment glycoprotein (Niv-G)
Assay Typemolecular docking and simulation
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)382.26
H-bond Acceptor5
H-bond Donor2
No. of Rotatable Bonds5
LogP4.06
Topological Polar Surface Area (Å)104.17
PUBMED ID37442011
Referencehttps://pubmed.ncbi.nlm.nih.gov/37442011/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 18 of 24   [TOP]
Compound IDNVIC0126
Compound Structure
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Inhibitor7,7-Dimethyl-1-(4-methylphenyl)-3-(4-morpholinylcarbonyl)-7,8-dihydro-2,5(1H,6H)-quinolinedione
SMILESCC1=CC=C(C=C1)N1C(=O)C(=CC2=C1CC(C)(C)CC2=O)C(=O)N1CCOCC1
PubChem ID \N
Drug Bank ID\N
ChemSpider ID\N
Targetattachment glycoprotein (Niv-G)
Assay Typemolecular docking and simulation
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)394.46
H-bond Acceptor6
H-bond Donor0
No. of Rotatable Bonds3
LogP2.71
Topological Polar Surface Area (Å)68.61
PUBMED ID36036362
Referencehttps://pubmed.ncbi.nlm.nih.gov/36036362/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 19 of 24   [TOP]
Compound IDNVIC0132
Compound Structure
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InhibitorG5
SMILESCC1=CC=C(NC(=O)N[C@@H](C(=O)N2CCC3=C2C=CC=C3)C2=CC=CC=C2)C=C1
PubChem ID 92881596
Drug Bank ID\N
ChemSpider ID23022263
Targetattachment glycoprotein (Niv-G)
Assay Typemolecular docking and simulation
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)385.46
H-bond Acceptor5
H-bond Donor2
No. of Rotatable Bonds7
LogP4.98
Topological Polar Surface Area (Å)61.44
PUBMED ID33450550
Referencehttps://pubmed.ncbi.nlm.nih.gov/33450550/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 20 of 24   [TOP]
Compound IDNVIC0135
Compound Structure
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InhibitorCARS0358
SMILES[H][C@]12N(CC3=CC=CC=C3)CC[C@@]11C(NC3=C1C=CC=C3)=C(CC2([H])C[C@@]1(CC)COC(C)(C)O1)C(=O)OC
PubChem ID \N
Drug Bank ID\N
ChemSpider ID\N
Targetattachment glycoprotein (Niv-G)
Assay Typemolecular docking and simulation
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)502.64
H-bond Acceptor6
H-bond Donor1
No. of Rotatable Bonds7
LogP5.46
Topological Polar Surface Area (Å)60.03
PUBMED ID35744699
Referencehttps://pubmed.ncbi.nlm.nih.gov/35744699/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 21 of 24   [TOP]
Compound IDNVIC0137
Compound Structure
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InhibitorF10
SMILESOC1=NC=C(F)N=C1CN1CCN(CC1)C1=NN=C(O1)C1=CC=CC=C1
PubChem ID \N
Drug Bank ID\N
ChemSpider ID\N
Targetattachment glycoprotein (Niv-G)
Assay TypeDFT, Molecular docking and ADMET
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)356.35
H-bond Acceptor9
H-bond Donor1
No. of Rotatable Bonds4
LogP1.70
Topological Polar Surface Area (Å)91.41
PUBMED ID33458565
Referencehttps://pubmed.ncbi.nlm.nih.gov/33458565/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 22 of 24   [TOP]
Compound IDNVIC0138
Compound Structure
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InhibitorF11
SMILESOC1=NC=C(F)N=C1CN1CCN(CC1)C1=NN=C(O1)C1=CC=C(Cl)C=C1
PubChem ID \N
Drug Bank ID\N
ChemSpider ID\N
Targetattachment glycoprotein (Niv-G)
Assay TypeDFT, Molecular docking and ADMET
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)390.80
H-bond Acceptor9
H-bond Donor1
No. of Rotatable Bonds4
LogP2.35
Topological Polar Surface Area (Å)91.41
PUBMED ID33458565
Referencehttps://pubmed.ncbi.nlm.nih.gov/33458565/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 23 of 24   [TOP]
Compound IDNVIC0139
Compound Structure
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InhibitorF12
SMILESOC1=CC=C(C=C1)C1=NN=C(O1)N1CCN(CC1)C(=O)C1=NC(F)=CN=C1O
PubChem ID \N
Drug Bank ID\N
ChemSpider ID\N
Targetattachment glycoprotein (Niv-G)
Assay TypeDFT, Molecular docking and ADMET
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)386.34
H-bond Acceptor11
H-bond Donor2
No. of Rotatable Bonds4
LogP1.04
Topological Polar Surface Area (Å)128.71
PUBMED ID33458565
Referencehttps://pubmed.ncbi.nlm.nih.gov/33458565/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 24 of 24   [TOP]
Compound IDNVIC0142
Compound Structure
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InhibitorRASE0125 (17-O-Acetyl-nortetraphyllicine)
SMILESC(C)(=O)OC1C2[C@H]3N4C/C(/C2CC4[C@@H]4NC=2C=CC=CC2[C@]41C3)=C/C
PubChem ID \N
Drug Bank ID\N
ChemSpider ID\N
Targetattachment glycoprotein (Niv-G)
Assay Typemolecular docking and simulation
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)336.43
H-bond Acceptor4
H-bond Donor1
No. of Rotatable Bonds2
LogP2.77
Topological Polar Surface Area (Å)41.57
PUBMED ID35744699
Referencehttps://pubmed.ncbi.nlm.nih.gov/35744699/
Curator Email IDbhupender.thakur855@gmail.com