bromosporine

Ligand id: 8234

Name: bromosporine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 135.96
Molecular weight 404.13
XLogP 2.49
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
ethyl N-[6-(3-methanesulfonamido-4-methylphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]carbamate
Comments
Bromosporine is a broad spectrum inhibitor of bromodomain-containing proteins. This is contained in the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection.
Database Links
ChEMBL Ligand CHEMBL3133807
GtoPdb PubChem SID 249565914
PubChem CID 72943187
RCSB PDB Ligand BMF
Search Google for chemical match using the InChIKey UYBRROMMFMPJAN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UYBRROMMFMPJAN
Search UniChem for chemical match using the InChIKey UYBRROMMFMPJAN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UYBRROMMFMPJAN

Product suppliers

Tocris
Bromosporine
Cat. No. 4758