seliciclib

Ligand id: 6035

Name: seliciclib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 87.89
Molecular weight 354.22
XLogP 3.72
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol
International Nonproprietary Names
INN number INN
8546 seliciclib
Synonyms
(R)-roscovitine | CYC-202 | CYC202 | R-roscovitine | roscovitine
Database Links
CAS Registry No. 186692-46-6
ChEMBL Ligand CHEMBL14762
PubChem CID 160355
RCSB PDB Ligand RRC
Search Google for chemical match using the InChIKey BTIHMVBBUGXLCJ-OAHLLOKOSA-N
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Search UniChem for chemical match using the InChIKey BTIHMVBBUGXLCJ-OAHLLOKOSA-N
Search UniChem for chemicals with the same backbone BTIHMVBBUGXLCJ
SynPHARM 80557 (in complex with cyclin dependent kinase 2)
Wikipedia Seliciclib
Comments
Seliciclib inhibits cyclin-dependent kinases (CDKs) 2, 7 and 9.