acalisib

Ligand id: 10096

Name: acalisib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 100.86
Molecular weight 401.14
XLogP 3.75
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
International Nonproprietary Names
INN number INN
9812 acalisib
Synonyms
CAL-120 | GS-9820
Comments
Acalisib (GS9820) is a PI3Kδ inhibitor [2] that is being investigated for anti-neoplastic and immunomodulatory potential.
Database Links
BindingDB Ligand 217352
CAS Registry No. 870281-34-8 (source: WHO INN record)
GtoPdb PubChem SID 381118806
PubChem CID 11618268
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