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Record - 1 of 2   [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 - 2 of 2   [TOP]
Compound IDNVIC0120
Compound Structure
DOWNLOAD:
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
TargetEphrin-B2
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 Ephrin-B2
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