compound 34 [PMID: 25974391]

Ligand id: 8396

Name: compound 34 [PMID: 25974391]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 115.02
Molecular weight 499.14
XLogP 2.86
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3,4-dimethoxy-N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzene-1-sulfonamide
Database Links
GtoPdb PubChem SID 252166607
PubChem CID 50796983
RCSB PDB Ligand 4QH
Search Google for chemical match using the InChIKey KNVIUMWNYXDULF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KNVIUMWNYXDULF
Search UniChem for chemical match using the InChIKey KNVIUMWNYXDULF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KNVIUMWNYXDULF
Comments
Compound 34 is reported as tool compound which acts as an inhibitor of the enzyme tripartite motif containing 24 (TRIM24) and of the bromodomain protein, bromodomain and PHD finger containing, 1 (BRPF1) [1].