buparlisib

Ligand id: 7878

Name: buparlisib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 89.63
Molecular weight 410.17
XLogP 1.4
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
International Nonproprietary Names
INN number INN
9546 buparlisib
Synonyms
BKM 120 | BKM-120 | BKM120 | NVP-BKM120
Database Links
CAS Registry No. 944396-07-0
ChEMBL Ligand CHEMBL2017974
GtoPdb PubChem SID 223366207
PubChem CID 16654980
RCSB PDB Ligand SD5
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Search UniChem for chemical match using the InChIKey CWHUFRVAEUJCEF-UHFFFAOYSA-N
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Comments
The discovery of buparlisib is described in [2] where it is compound 15. Buparlisib is a selective and orally bioavailable phosphoinositide 3-kinase (PI3K) inhibitor [2-3].