compound 7c [PMID: 22041175]

Ligand id: 9931

Name: compound 7c [PMID: 22041175]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 55.89
Molecular weight 420.14
XLogP 5.19
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
10-benzyl-2-(2-chlorophenyl)-7,8,9,11-tetrahydro-3H-pyrazolo[4,5]pyrido[5,6-a][1,4]diazepine-1,5-dione
Comments
Compound 7c [PMID: 22041175] is a novel dual NOX4/NOX1 inhibitor that ameliorates bleomycin-induced pulmonary fibrosis, a finding which suggests that targeting the NOX4/1 activity as a potential molecular mechanism for the treatment of idiopathic pulmonary fibrosis [3].
Database Links
BindingDB Ligand 50359523
ChEMBL Ligand CHEMBL1962788
GtoPdb PubChem SID 363894225
PubChem CID 51035721
Search Google for chemical match using the InChIKey DISVMXDWAMMVLT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DISVMXDWAMMVLT
Search UniChem for chemical match using the InChIKey DISVMXDWAMMVLT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DISVMXDWAMMVLT