CHEBI:191940 - ponatinib hydrochloride

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ChEBI Name ponatinib hydrochloride
ChEBI ID CHEBI:191940
Definition The hydrochloride salt of ponatinib. It is a potent pan inhibitor of tyrosine kinases, active in all single resistance ABL kinase mutations including the T315l mutation. It is approved for the treatment of chronic myeloid leukemia.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB52657391
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Formula C29H27F3N6O.ClH
Net Charge 0
Average Mass 569.030
Monoisotopic Mass 568.19652
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
InChIKey BWTNNZPNKQIADY-UHFFFAOYSA-N
SMILES Cl.CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1
Roles Classification
Biological Role(s): tyrosine kinase inhibitor
Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing ponatinib hydrochloride (CHEBI:191940) has part ponatinib(1+) (CHEBI:191939)
ponatinib hydrochloride (CHEBI:191940) has role antineoplastic agent (CHEBI:35610)
ponatinib hydrochloride (CHEBI:191940) has role tyrosine kinase inhibitor (CHEBI:38637)
ponatinib hydrochloride (CHEBI:191940) is a hydrochloride (CHEBI:36807)
IUPAC Name
3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide hydrochloride
Synonyms Sources
3-[(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide—hydrogen chloride IUPAC
4-{4-[3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzamido]-2-(trifluoromethyl)benzyl}-1-methylpiperazin-1-ium chloride IUPAC
4-{[4-{3-[(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methylbenzamido}-2-(trifluoromethyl)phenyl]methyl}-1-methylpiperazin-1-ium chloride IUPAC
AP 24534 hydrochloride ChemIDplus
AP-24534 hydrochloride ChEBI
AP24534 HCl ChemIDplus
ponatinib HCl ChEBI
Brand Name Source
Iclusig KEGG DRUG
Manual Xrefs Databases
28527869 ChemSpider
D09951 KEGG DRUG
DBSALT000142 DrugBank
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Registry Number Type Source
1114544-31-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
19878872 PubMed citation Europe PMC
25970013 PubMed citation Europe PMC
28690276 PubMed citation Europe PMC
28978814 PubMed citation Europe PMC
29966620 PubMed citation Europe PMC
30705592 PubMed citation Europe PMC
34810285 PubMed citation Europe PMC
Last Modified
18 May 2022