MS7972

Ligand id: 7508

Name: MS7972

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 39.07
Molecular weight 227.09
XLogP 2.39
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
9-acetyl-2,3,4,9-tetrahydro-1H-carbazol-1-one
Database Links
ChEMBL Ligand CHEMBL1236441
DrugBank Ligand DB08655
PubChem CID 853608
RCSB PDB Ligand TTR
Search Google for chemical match using the InChIKey MIGJEXKBUJPKJF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MIGJEXKBUJPKJF
Search UniChem for chemical match using the InChIKey MIGJEXKBUJPKJF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MIGJEXKBUJPKJF
Comments
This compound blocks K382-acetylated p53 association with the bromodomain of CBP [1].