dinaciclib

Ligand id: 7379

Name: dinaciclib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 92.63
Molecular weight 396.23
XLogP 2.01
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol
International Nonproprietary Names
INN number INN
9157 dinaciclib
Synonyms
SCH727965
Database Links
CAS Registry No. 779353-01-4
ChEMBL Ligand CHEMBL2103840
PubChem CID 46926350
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SynPHARM 79363 (in complex with cyclin dependent kinase 2)
Wikipedia Dinaciclib
Comments
Dinaciclib is a potent cyclin-dependent kinase (CDK) inhibitor, inhibiting the CDK4 and 6 isoforms [4]. Dinaciclib has also been reported to interact with the acetyl-lysine recognition domain of the bromodomain testis-specific protein BRDT [4]. BRDT is a member of the BET family of bromodomain-containing proteins which are considered to be atypical kinases.