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]
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
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.