MS436

Ligand id: 7509

Name: MS436

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 138.41
Molecular weight 383.11
XLogP 3.71
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[2-(2-amino-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-N-pyridin-2-ylbenzenesulfonamide
Database Links
ChEMBL Ligand CHEMBL3086883
PubChem CID 72672988
RCSB PDB Ligand NUD
Search Google for chemical match using the InChIKey DZTGIRNXWSZBIM-QURGRASLSA-N
Search Google for chemicals with the same backbone DZTGIRNXWSZBIM
Search UniChem for chemical match using the InChIKey DZTGIRNXWSZBIM-QURGRASLSA-N
Search UniChem for chemicals with the same backbone DZTGIRNXWSZBIM
SynPHARM 79898 (in complex with bromodomain containing 4)
Comments
This compound binds to the Brd1 bromodomain of BRD4, with approximately 4-fold selectivity over the Brd2 bromodomain [1].
PubChem CID 72672988 represents an alternative isomer of this molecule.