compound 20 [PMID: 23692593]

Ligand id: 8486

Name: compound 20 [PMID: 23692593]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 16
Hydrogen bond donors 10
Rotatable bonds 32
Topological polar surface area 275.3
Molecular weight 783.33
XLogP 1.82
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(1S)-1-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-(6-aminohexanoylamino)-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-bromobutyl]boronic acid
Synonyms
Ahx-FSQn(boro)Bpg [1]
Database Links
ChEMBL Ligand CHEMBL2381669
GtoPdb PubChem SID 252166694
PubChem CID 71681016
Search Google for chemical match using the InChIKey AKGOAAVLALZKCN-JSLVBRCRSA-N
Search Google for chemicals with the same backbone AKGOAAVLALZKCN
Search UniChem for chemical match using the InChIKey AKGOAAVLALZKCN-JSLVBRCRSA-N
Search UniChem for chemicals with the same backbone AKGOAAVLALZKCN
Comments
This compound is reported as an inhibitor of the serine protease activity of prostate-specific antigen (PSA, aka kallikrein-related peptidase 3) [1].