small molecule

Ponatinib

Synonyms/Brands: AP24534, iclusig, AP 24534, Ponatinibum

Ponatinib is a novel Bcr-Abl tyrosine kinase inhibitor that is especially effective against the T315I mutation for the treatment of chronic myeloid leukemia. FDA approved on December 14, 2012.

Molecular Formula: C₂₉H₂₇F₃N₆O

Molecular Weight:: 532.5595

CAS:: 943319-70-8

ATC:: L01XE24

InChiKey:: PHXJVRSECIGDHY-UHFFFAOYSA-N

InChi:: InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)

SMILES:: CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1

IUPAC Name:: 3-(2-{imidazo[1,2-b]pyridazin-3-yl}ethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide

DrugBank ChEMBL PubChem KEGG Drug

Download Curated Data for this Chemical

7645

Interactors 14
Chemical Interactions 15
Network

Chemical Summary

Ponatinib