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Compound IDNVIC0104
Compound Structure
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InhibitorIsoniazid Pyruvate
SMILESCC(=NNC(=O)C1=CC=NC=C1)C(=O)O
PubChem ID 5359563
Drug Bank ID\N
ChemSpider ID4514321
TargetEphrin-B3
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-B3
Molecular Weight (in g/mol)207.19
H-bond Acceptor6
H-bond Donor2
No. of Rotatable Bonds4
LogP0.66
Topological Polar Surface Area (Å)91.65
PUBMED ID36808582
Referencehttps://pubmed.ncbi.nlm.nih.gov/36808582/
Curator Email IDbhupender.thakur855@gmail.com