UK-396,082

Ligand id: 8657

Name: UK-396,082

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 81.14
Molecular weight 239.16
XLogP 0.69
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-5-amino-2-[(1-propylimidazol-4-yl)methyl]pentanoic acid
Synonyms
compound 21 [PMID: 17990866] | UK-396082
Database Links
CAS Registry No. 400044-47-5 (source: Scifinder)
ChEMBL Ligand CHEMBL398110
PubChem CID 11241908
RCSB PDB Ligand 720
Search Google for chemical match using the InChIKey OTDGPKRCQXSTPV-JTQLQIEISA-N
Search Google for chemicals with the same backbone OTDGPKRCQXSTPV
Search UniChem for chemical match using the InChIKey OTDGPKRCQXSTPV-JTQLQIEISA-N
Search UniChem for chemicals with the same backbone OTDGPKRCQXSTPV
Comments
UK-396,082 is reported as a selective inhibitor of human thrombin-activatable fibrinolysis inhibitor (TAFI, CPB2) with >1000-fold selectivity over carboxypeptidase N [1].