compound 7c [PMID: 22041175]   Click here for help

GtoPdb Ligand ID: 9931

Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: 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].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 62.51
Molecular weight 420.14
XLogP 4.82
No. Lipinski's rules broken 0
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Canonical SMILES Clc1ccccc1n1[nH]c2c(c1=O)c1CN(CCCn1c(=O)c2)Cc1ccccc1
Isomeric SMILES Clc1ccccc1n1[nH]c2c(c1=O)c1CN(CCCn1c(=O)c2)Cc1ccccc1
InChI InChI=1S/C23H21ClN4O2/c24-17-9-4-5-10-19(17)28-23(30)22-18(25-28)13-21(29)27-12-6-11-26(15-20(22)27)14-16-7-2-1-3-8-16/h1-5,7-10,13,25H,6,11-12,14-15H2
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Database Links Click here for help
BindingDB Ligand 50359523
ChEMBL Ligand CHEMBL1962788
GtoPdb PubChem SID 363894225
PubChem CID 51035721
Search Google for chemical match using the InChIKey DISVMXDWAMMVLT-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey DISVMXDWAMMVLT-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey DISVMXDWAMMVLT-UHFFFAOYSA-N