compound 4 [PMID: 18163548]

Ligand id: 6545

Name: compound 4 [PMID: 18163548]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 7
Rotatable bonds 14
Topological polar surface area 203.08
Molecular weight 477.17
XLogP 0.9
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R)-N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-2-(phenylmethylsulfonylamino)propanamide
Database Links
ChEMBL Ligand CHEMBL252937
PubChem CID 449051
RCSB PDB Ligand 7IN
Search Google for chemical match using the InChIKey ZNOKJHWJKULOGM-ZWKOTPCHSA-N
Search Google for chemicals with the same backbone ZNOKJHWJKULOGM
Search UniChem for chemical match using the InChIKey ZNOKJHWJKULOGM-ZWKOTPCHSA-N
Search UniChem for chemicals with the same backbone ZNOKJHWJKULOGM
SynPHARM 78434 (in complex with plasminogen activator, urokinase)
Comments
PLAU inhibitor. Analogue of clinical candidate WX-UK1.