kenpaullone   Click here for help

GtoPdb Ligand ID: 6000

Synonyms: 9-bromopaullone
Compound class: Synthetic organic
Comment: Kenpaullone is an ATP-competitive inhibitor of several cyclin-dependent kinases (CDKs) and glycogen synthase kinase 3β (GSK-3β) [3-4].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 44.89
Molecular weight 326.01
XLogP 3.76
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES O=C1Nc2ccccc2c2c(C1)c1cc(Br)ccc1[nH]2
Isomeric SMILES O=C1Nc2ccccc2c2c(C1)c1cc(Br)ccc1[nH]2
InChI InChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9687654
Reactome Reaction Reactome logo R-HSA-9687724
Other databases
CAS Registry No. 142273-20-9
ChEMBL Ligand CHEMBL296586
GtoPdb PubChem SID 178102622
PubChem CID 3820
Search Google for chemical match using the InChIKey QQUXFYAWXPMDOE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QQUXFYAWXPMDOE
UniChem Compound Search for chemical match using the InChIKey QQUXFYAWXPMDOE-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey QQUXFYAWXPMDOE-UHFFFAOYSA-N

Product suppliers

View disclaimer

Kenpaullone (links to external site)
Cat. No. 1398