compound 40 [PMID: 10602705]

Ligand id: 8630

Name: compound 40 [PMID: 10602705]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 13
Topological polar surface area 251.58
Molecular weight 483.13
XLogP -3.83
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-1-[(2S,3R)-2-[[(2R,3R)-3-amino-2-sulfanyl-5-sulfopentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2,3-dicarboxylic acid
Synonyms
H(3)N(+)CH(CH(2)CH(2)SO(3)(-))CH(SH)CO-Ile-(3-COOH)Pro
Database Links
ChEMBL Ligand CHEMBL146746
GtoPdb PubChem SID 252166830
PubChem CID 44365325
Search Google for chemical match using the InChIKey HUWSZNZAROKDRZ-RRLWZMAJSA-N
Search Google for chemicals with the same backbone HUWSZNZAROKDRZ
Search UniChem for chemical match using the InChIKey HUWSZNZAROKDRZ-RRLWZMAJSA-N
Search UniChem for chemicals with the same backbone HUWSZNZAROKDRZ
Comments
Compound 40 is reported as an inhibitor of glutamyl aminopeptidase (ENPEP) [1].