panulisib

Ligand id: 9916

Name: panulisib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 133.97
Molecular weight 527.18
XLogP 4.73
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[8-[6-amino-5-(trifluoromethyl)pyridin-3-yl]-1-[6-(2-cyanopropan-2-yl)pyridin-3-yl]-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide
International Nonproprietary Names
INN number INN
9790 panulisib
Synonyms
example 96 [WO2012007926A1] | P7170
Comments
Panulisib (P7170) is a potent small-molecule inhibitor of class I PI3K isoforms, mTOR kinase and activin receptor-like kinase 1 (ALK1) [1,3]. It was developed for antiangiogenic efficacy as a novel cancer therapy and has shown efficacy in in vitro and in vivo models of human non-small cell lung cancer [3]. The chemical structure is claimed in Piramal Life Sciences' patent WO2012007926 where it is example 96 [2].
Database Links
CAS Registry No. 1356033-60-7 (source: WHO INN record)
GtoPdb PubChem SID 363894210
PubChem CID 56947515
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