compound 37 [PMID: 24418773]

Ligand id: 8612

Name: compound 37 [PMID: 24418773]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 7
Rotatable bonds 15
Topological polar surface area 183.42
Molecular weight 522.3
XLogP 1.93
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[[(2R)-1-[[(2S)-3-(4-aminophenyl)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetic acid
Database Links
ChEMBL Ligand CHEMBL3115901
PubChem CID 76328755
Search Google for chemical match using the InChIKey CHAFCBBAYJKFNL-RPWUZVMVSA-N
Search Google for chemicals with the same backbone CHAFCBBAYJKFNL
Search UniChem for chemical match using the InChIKey CHAFCBBAYJKFNL-RPWUZVMVSA-N
Search UniChem for chemicals with the same backbone CHAFCBBAYJKFNL
Comments
Compound 37 is a small molecule inhibitor of activated protein C [1].