phenylacetyl-Arg-Val-Arg-4-amidinobenzylamide

Ligand id: 6564

Name: phenylacetyl-Arg-Val-Arg-4-amidinobenzylamide

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 16
Hydrogen bond donors 10
Rotatable bonds 24
Topological polar surface area 295.07
Molecular weight 678.41
XLogP 2.6
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-N-[(4-carbamimidoylphenyl)methyl]-5-[(diaminomethylidene)amino]-2-[(2S)-2-[(2S)-5-[(diaminomethylidene)amino]-2-(2-phenylacetamido)pentanamido]-3-methylbutanamido]pentanamide
Synonyms
compound 15 [1]
Database Links
ChEMBL Ligand CHEMBL566340
PubChem CID 45486355
Search Google for chemical match using the InChIKey YGMAIAXBJLVVLI-KLJDGLGGSA-N
Search Google for chemicals with the same backbone YGMAIAXBJLVVLI
Search UniChem for chemical match using the InChIKey YGMAIAXBJLVVLI-KLJDGLGGSA-N
Search UniChem for chemicals with the same backbone YGMAIAXBJLVVLI
Comments
This compound is an inhibitor of furin and furin-like proprotein convertases [1].