compound 7f [PMID: 29191554]

Ligand id: 9794

Name: compound 7f [PMID: 29191554]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 11
Topological polar surface area 155.58
Molecular weight 593.2
XLogP 6.11
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-amino-4-[(1R)-1-{[(3Z,6R)-6-[(5-chloro-2-methoxyphenyl)methyl]-7-oxo-3-(phenoxyimino)-1,4-diazepane-1-carbonyl]amino}propyl]benzoic acid
Synonyms
example 32 [WO2011078413]
Comments
Compound 7f [PMID: 29191554] is a chymase 1 inhbitor [1]. The chemical structure is claimed as example/compound 32 in patent WO2011078413 [2].
Database Links
GtoPdb PubChem SID 354702266
PubChem CID 86672192
RCSB PDB Ligand 8W3
Search Google for chemical match using the InChIKey LHASZEBEQGPCFM-CJFMBICVSA-N
Search Google for chemicals with the same backbone LHASZEBEQGPCFM
Search UniChem for chemical match using the InChIKey LHASZEBEQGPCFM-CJFMBICVSA-N
Search UniChem for chemicals with the same backbone LHASZEBEQGPCFM
SynPHARM 84824 (in complex with chymase 1)