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CHEBI:143117 - lorlatinib

ChEBI IDCHEBI:143117
ChEBI Namelorlatinib
Stars
DefinitionA cyclic ether that is 16,17-dihydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one substituted by methyl groups at positions 2 and 10R, and by cyano, amino and fluoro groups at positions 3, 7 and 12 respectively. It is a small molecule inhibitor of ALK and ROS1 kinase developed by Pfizer for the treatment of ALK-positive non-small cell lung cancer.
Last Modified18 March 2019
SubmitterTim Willson
DownloadsMolfile
FormulaC21H19FN6O2
Net Charge0
Average Mass406.421
Monoisotopic Mass406.15535
SMILESC[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21
InChIInChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1
InChIKeyIIXWYSCJSQVBQM-LLVKDONJSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor  An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that interferes with the action of receptor protein-tyrosine kinase (EC 2.7.10.1).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
lorlatinib (CHEBI:143117) has role antineoplastic agent (CHEBI:35610)
lorlatinib (CHEBI:143117) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434)
lorlatinib (CHEBI:143117) is a aminopyridine (CHEBI:38207)
lorlatinib (CHEBI:143117) is a aromatic ether (CHEBI:35618)
lorlatinib (CHEBI:143117) is a azamacrocycle (CHEBI:52898)
lorlatinib (CHEBI:143117) is a benzamides (CHEBI:22702)
lorlatinib (CHEBI:143117) is a cyclic ether (CHEBI:37407)
lorlatinib (CHEBI:143117) is a monofluorobenzenes (CHEBI:83575)
lorlatinib (CHEBI:143117) is a nitrile (CHEBI:18379)
lorlatinib (CHEBI:143117) is a organic heterotetracyclic compound (CHEBI:38163)
lorlatinib (CHEBI:143117) is a pyrazoles (CHEBI:26410)
IUPAC Name 
(10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile
INNs  Source
lorlatinibWHO MedNet
lorlatinibumWHO MedNet
lorlatinibWHO MedNet
lorlatinibWHO MedNet
Synonyms  Source
PFE-PKIS 10ChEBI
PF06463922ChEBI
PF-06463922ChemIDplus
loratinibChemIDplus
Brand Name  Source
LorbrenaKEGG DRUG
Manual XrefsDatabases
5P8PDBeChem
DB12130DrugBank
LorlatinibWikipedia
D11012KEGG DRUG
Registry NumbersSources
CAS:1454846-35-5ChemIDplus
Citations