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Record - 1 of 2   [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 - 2 of 2   [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