BMS-387032

Ligand id: 5670

Name: BMS-387032

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 133.59
Molecular weight 380.13
XLogP 0.3
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide
Synonyms
BMS 387032 | BMS387032 | compound 21 [PMID: 15027863] | SNS 032 | SNS-032
Comments
BMS-387032 was originally reported as a potent and selective inhibitor of cyclin-dependent kinase 2 [3]. It has subsequently been discovered to potently inhibit CDK7 and CDK9 [2].
Database Links
CAS Registry No. 345627-80-7
ChEMBL Ligand CHEMBL296468
GtoPdb PubChem SID 178102298
PubChem CID 3025986
RCSB PDB Ligand 56H
Search Google for chemical match using the InChIKey OUSFTKFNBAZUKL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OUSFTKFNBAZUKL
Search UniChem for chemical match using the InChIKey OUSFTKFNBAZUKL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OUSFTKFNBAZUKL

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Tocris
SNS 032
Cat. No. 4075