dezapelisib

Ligand id: 9728

Name: dezapelisib

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 129.1
Molecular weight 421.11
XLogP 3.56
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-(3-fluorophenyl)-3-methyl-7-[(1S)-1-(7H-purin-6-ylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
International Nonproprietary Names
INN number INN
10451 dezapelisib
Synonyms
compound 67 [PMID: 22924688] | example 15 [WO2011008487] [2] | INCB 40093 | INCB40093
Comments
Dezapelisib (INCB 40093) is a potent and selective PIK3δ inhibitor that was being developed as a potential therapy for B cell malignancies [1]. Claimed as example 15 in patent WO2011008487, although only binned IC50 values are contained in this patent document [2].
Database Links
CAS Registry No. 1262440-25-4 (source: WHO INN record)
ChEMBL Ligand CHEMBL2216863
GtoPdb PubChem SID 354702204
PubChem CID 58111426
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Search UniChem for chemicals with the same backbone RSIWALKZYXPAGW