BI-2536

Ligand id: 5666

Name: BI-2536

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 102.93
Molecular weight 521.31
XLogP 2.73
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
Synonyms
BI 2536 | BI2536
Database Links
CAS Registry No. 755038-02-9
ChEBI CHEBI:49868
ChEMBL Ligand CHEMBL513909
PubChem CID 11364421
RCSB PDB Ligand R78
Search Google for chemical match using the InChIKey XQVVPGYIWAGRNI-JOCHJYFZSA-N
Search Google for chemicals with the same backbone XQVVPGYIWAGRNI
Search UniChem for chemical match using the InChIKey XQVVPGYIWAGRNI-JOCHJYFZSA-N
Search UniChem for chemicals with the same backbone XQVVPGYIWAGRNI
SynPHARM 79926 (in complex with bromodomain containing 4)
79928 (in complex with polo like kinase 1)
81115 (in complex with polo like kinase 1)
81116 (in complex with polo like kinase 2)
Comments
BI-2536 was initially reported as a polo-like kinase 1 (PLK1) inhibitor [3]. More recently, this compound has been discovered to function, in addition, as a BRD4 (bromodomain) inhibitor [1]. It is suggested that BI-2536 be termed a dual kinase-bromodomain inhibitor.