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Compound IDNVIC0108
Compound Structure
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InhibitorPemirolast
SMILESCC1=CC=CN2C1=NC=C(C2=O)C3=NNN=N3
PubChem ID 57697
Drug Bank IDDB00885
ChemSpider ID51990
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)228.21
H-bond Acceptor7
H-bond Donor1
No. of Rotatable Bonds1
LogP0.18
Topological Polar Surface Area (Å)88.83
PUBMED ID36808582
Referencehttps://pubmed.ncbi.nlm.nih.gov/36808582/
Curator Email IDbhupender.thakur855@gmail.com