compound 6 [PMID: 10395480]

Ligand id: 8632

Name: compound 6 [PMID: 10395480]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 9
Topological polar surface area 138.75
Molecular weight 328.21
XLogP -1
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-1-[(2R,3S)-3-amino-2-hydroxy-5-methylhexanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Database Links
ChEMBL Ligand CHEMBL2369858
PubChem CID 10336627
Search Google for chemical match using the InChIKey PDGQBIYMLALKTR-FIQHERPVSA-N
Search Google for chemicals with the same backbone PDGQBIYMLALKTR
Search UniChem for chemical match using the InChIKey PDGQBIYMLALKTR-FIQHERPVSA-N
Search UniChem for chemicals with the same backbone PDGQBIYMLALKTR
Comments
Compound 6 is reported as an inhibitor of membrane-bound aminopeptidase P (XPNPEP1 and XPNPEP2) [1]. XPNPEP inhibitors would be expected to reduce the degradation of bradykinin, with resulting anti-hypertensive effects.