CHEBI:78543 - ponatinib

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ponatinib
ChEBI ID CHEBI:78543
Definition A benzamide obtained by the formal condensation of the carboxy group of 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoic acid with the anilino group of 4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline. It is a multi-target tyrosine kinase inhibitor that targets ABL, SRC, FGFR, and others and was designed to overcome the resistance of BCR-ABL mutation to imatinib, in particular the gatekeeper mutation ABLT315I.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Margaret Duesbury
Supplier Information ChemicalBook:CB12484883, eMolecules:31507658, Selleckchem:E7080, ZINC000003816292
Download Molfile XML SDF
more structures >>
Wikipedia License
Lenvatinib, sold under the brand name Lenvima among others, is an anti-cancer medication for the treatment of certain kinds of thyroid cancer and for other cancers as well. It was developed by Eisai Co. and acts as a multiple kinase inhibitor against the VEGFR1, VEGFR2 and VEGFR3 kinases.
Read full article at Wikipedia
Formula C29H27F3N6O
Net Charge 0
Average Mass 532.55950
Monoisotopic Mass 532.21984
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)
InChIKey PHXJVRSECIGDHY-UHFFFAOYSA-N
SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ponatinib (CHEBI:78543) has role antineoplastic agent (CHEBI:35610)
ponatinib (CHEBI:78543) has role tyrosine kinase inhibitor (CHEBI:38637)
ponatinib (CHEBI:78543) is a (trifluoromethyl)benzenes (CHEBI:83565)
ponatinib (CHEBI:78543) is a N-methylpiperazine (CHEBI:46920)
ponatinib (CHEBI:78543) is a acetylenic compound (CHEBI:73474)
ponatinib (CHEBI:78543) is a benzamides (CHEBI:22702)
ponatinib (CHEBI:78543) is a imidazopyridazine (CHEBI:48382)
ponatinib (CHEBI:78543) is conjugate base of ponatinib(1+) (CHEBI:191939)
Incoming ponatinib(1+) (CHEBI:191939) is conjugate acid of ponatinib (CHEBI:78543)
IUPAC Name
3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide
INNs Sources
ponatinib WHO MedNet
ponatinib WHO MedNet
ponatinib WHO MedNet
ponatinibum WHO MedNet
Synonyms Sources
AP 24534 ChemIDplus
AP-24534 ChEBI
AP24534 ChemIDplus
Manual Xrefs Databases
4716 DrugCentral
D09950 KEGG DRUG
DB08901 DrugBank
HMDB0240214 HMDB
LSM-1151 LINCS
Ponatinib Wikipedia
US2014038920 Patent
View more database links
Registry Numbers Types Sources
12923700 Reaxys Registry Number Reaxys
943319-70-8 CAS Registry Number ChemIDplus
943319-70-8 CAS Registry Number KEGG DRUG
Citations Types Sources
24297701 PubMed citation Europe PMC
24402926 PubMed citation Europe PMC
24407160 PubMed citation Europe PMC
24408322 PubMed citation Europe PMC
24472312 PubMed citation Europe PMC
24481648 PubMed citation Europe PMC
24550512 PubMed citation Europe PMC
24552773 PubMed citation Europe PMC
24586514 PubMed citation Europe PMC
24596204 PubMed citation Europe PMC
24602068 PubMed citation Europe PMC
24695735 PubMed citation SUBMITTER
24729118 PubMed citation Europe PMC
24756787 PubMed citation Europe PMC
24766374 PubMed citation Europe PMC
24768818 PubMed citation Europe PMC
24807266 PubMed citation Europe PMC
24934866 PubMed citation Europe PMC
30417093 PubMed citation Europe PMC
33929369 PubMed citation Europe PMC
34406581 PubMed citation Europe PMC
34649276 PubMed citation Europe PMC
34821935 PubMed citation Europe PMC
34871094 PubMed citation Europe PMC
34885009 PubMed citation Europe PMC
34939982 PubMed citation Europe PMC
34984405 PubMed citation Europe PMC
34987886 PubMed citation Europe PMC
35059859 PubMed citation Europe PMC
35091442 PubMed citation Europe PMC
35091541 PubMed citation Europe PMC
35122387 PubMed citation Europe PMC
35151199 PubMed citation Europe PMC
35325305 PubMed citation Europe PMC
35332794 PubMed citation Europe PMC
35338182 PubMed citation Europe PMC
35349077 PubMed citation Europe PMC
35411096 PubMed citation Europe PMC
35412404 PubMed citation Europe PMC
35544670 PubMed citation Europe PMC
PMC8895737 PubMed Central citation Europe PMC
Last Modified
18 May 2022