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
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
Comments
Bromosporine is a broad spectrum inhibitor of bromodomain-containing proteins. This is contained in the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection.