CHEBI:143117 - lorlatinib

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ChEBI Name lorlatinib
ChEBI ID CHEBI:143117
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Tim Willson
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Formula C21H19FN6O2
Net Charge 0
Average Mass 406.421
Monoisotopic Mass 406.15535
InChI InChI=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
InChIKey IIXWYSCJSQVBQM-LLVKDONJSA-N
SMILES C=1C=C(C=C2C1C(=O)N(C)CC3=NN(C(=C3C=4C=NC(=C(O[C@@H]2C)C4)N)C#N)C)F
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): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing 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 Sources
lorlatinib WHO MedNet
lorlatinib WHO MedNet
lorlatinib WHO MedNet
lorlatinibum WHO MedNet
Synonyms Sources
loratinib ChemIDplus
PF-06463922 ChemIDplus
PF06463922 ChEBI
PFE-PKIS 10 ChEBI
Brand Name Source
Lorbrena KEGG DRUG
Manual Xrefs Databases
5P8 PDBeChem
D11012 KEGG DRUG
DB12130 DrugBank
Lorlatinib Wikipedia
View more database links
Registry Number Type Source
1454846-35-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
24819116 PubMed citation Europe PMC
25073473 PubMed citation Europe PMC
25349124 PubMed citation Europe PMC
25733882 PubMed citation Europe PMC
26698910 PubMed citation Europe PMC
26880581 PubMed citation Europe PMC
27413712 PubMed citation Europe PMC
28594000 PubMed citation Europe PMC
29744867 PubMed citation Europe PMC
30413378 PubMed citation Europe PMC
30478428 PubMed citation Europe PMC
30604291 PubMed citation Europe PMC
30816885 PubMed citation Europe PMC
Last Modified
18 March 2019
Submitter Remark
2019-02-19 19:48:58.0 Tim Willson LTK kinase inhibitor