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M  END
> <ID>
CHEBI:143117

> <NAME>
lorlatinib

> <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.

> <STAR>
3

> <SYNONYM>
PFE-PKIS 10; PF06463922; PF-06463922; loratinib

> <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

> <INN>
lorlatinibum; lorlatinib; lorlatinib; lorlatinib

> <BRAND_NAME>
Lorbrena

> <FORMULA>
C21H19FN6O2

> <MASS>
406.421

> <MONOISOTOPIC_MASS>
406.15535

> <CHARGE>
0

> <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

> <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

> <CAS_REGISTRY_NUMBER>
1454846-35-5

> <CHEMIDPLUS>
1454846-35-5

> <DRUGBANK_ACCESSION>
DB12130

> <KEGG_DRUG_ACCESSION>
D11012

> <PDBECHEM_ACCESSION>
5P8

> <WIKIPEDIA_ACCESSION>
Lorlatinib

> <PUBMED_CITATION>
24819116; 25073473; 25349124; 25733882; 26698910; 26880581; 27413712; 28594000; 29744867; 30413378; 30478428; 30604291; 30816885

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