Ponatinib hydrochlorideProduct ingredient for Ponatinib
- Name
- Ponatinib hydrochloride
- Drug Entry
- Ponatinib
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.
- Accession Number
- DBSALT000142
- Structure
- Synonyms
- Ponatinib HCl
- UNII
- 96R6PU3D8J
- CAS Number
- 1114544-31-8
- Weight
- Average: 569.02
Monoisotopic: 568.19652187 - Chemical Formula
- C29H28ClF3N6O
- InChI Key
- BWTNNZPNKQIADY-UHFFFAOYSA-N
- InChI
- InChI=1S/C29H27F3N6O.ClH/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);1H
- 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 hydrochloride
- SMILES
- Cl.CN1CCN(CC2=C(C=C(NC(=O)C3=CC=C(C)C(=C3)C#CC3=CN=C4C=CC=NN34)C=C2)C(F)(F)F)CC1
- External Links
- PubChem Compound
- 46908927
- ChemSpider
- 28527869
- ChEBI
- 191940
- ChEMBL
- CHEMBL2105708
- Wikipedia
- Ponatinib
- Predicted Properties
Property Value Source Water Solubility 0.00295 mg/mL ALOGPS logP 3.94 ALOGPS logP 4.97 Chemaxon logS -5.3 ALOGPS pKa (Strongest Acidic) 15.37 Chemaxon pKa (Strongest Basic) 7.62 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 65.77 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 152.63 m3·mol-1 Chemaxon Polarizability 55.27 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon