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Record - 1 of 3   [TOP]
Compound IDNVIC0095
Compound Structure
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InhibitorRSV604
SMILESC1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)NC4=CC=CC=C4F
PubChem ID 5279172
Drug Bank ID\N
ChemSpider ID4442963
TargetRNA-dependent RNA polymerase (RdRp)
Assay Type\N
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcome\N
Molecular Weight (in g/mol)388.40
H-bond Acceptor6
H-bond Donor3
No. of Rotatable Bonds5
LogP6.03
Topological Polar Surface Area (Å)82.59
PUBMED ID26029193
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC4428208/
Curator Email IDnishisharmacool14@gmail.com

                  
Record - 2 of 3   [TOP]
Compound IDNVIC0095
Compound Structure
DOWNLOAD:
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 - 3 of 3   [TOP]
Compound IDNVIC0095
Compound Structure
DOWNLOAD:
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
Targetnucleoprotein
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 nucleoprotein
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