CEP-33779

Ligand id: 9387

Name: CEP-33779

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 91.22
Molecular weight 462.18
XLogP 3.71
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[3-(4-methylpiperazin-1-yl)phenyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
Synonyms
CEP33779 | compound 29 [PMID: 22594690]
Comments
CEP-33779 is a selective, orally bioavailable inhibitor of Janus kinase 2 (JAK2) with anti-tumour activity [1]. Selectivity for JAK2 over JAK3 is sought to minimise the risk of immune suppression associated with JAK3 inhibition.
Database Links
GtoPdb PubChem SID 328083489
PubChem CID 57336812
Search Google for chemical match using the InChIKey RFZKSQIFOZZIAQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RFZKSQIFOZZIAQ
Search UniChem for chemical match using the InChIKey RFZKSQIFOZZIAQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RFZKSQIFOZZIAQ