138323 <common-name>Repotrectinib</common-name> <description>Repotrectinib is an organic compound with the chemical formula C18H18FN5O2 and an average molecular weight of 355.37 g/mol. Repotrectinib belongs to the macrolactams, a class of phenylpropanoids and polyketides within the organic compounds. This compound is found in or released from two recorded sources: antennas within electrical and electronic equipment, and antineoplastic agents within healthcare, pharmaceuticals, and veterinary products. The recorded route of exposure for this substance is oral. Repotrectinib acts on four recorded protein targets, serving as an inhibitor of the proto-oncogene tyrosine-protein kinase ROS (ROS1) as well as the high affinity nerve growth factor receptor (NTRK1), the BDNF/NT-3 growth factors receptor (NTRK2), and the NT-3 growth factor receptor (NTRK3).</description> <cas>1802220-02-5</cas> <pubchem-id>135565923</pubchem-id> <chemical-formula>C18H18FN5O2</chemical-formula> <weight>355.4</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-14T21:04:15Z</created-at> <updated-at type="dateTime">2026-08-19T23:50:17Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id>DB16826</drugbank-id> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>C[C@H]1CNC(=O)C2=C3N=C(N[C@H](C)C4=CC(F)=CC=C4O1)C=CN3N=C2</moldb-smiles> <moldb-formula>C18H18FN5O2</moldb-formula> <moldb-inchi>InChI=1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11+/m0/s1</moldb-inchi> <moldb-inchikey>FIKPXCOQUIZNHB-WDEREUQCSA-N</moldb-inchikey> <moldb-average-mass type="decimal">355.373</moldb-average-mass> 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<moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Phenylpropanoids and polyketides</superklass> <klass>Macrolactams</klass> <subklass nil="true"/> <paper-count type="integer">846</paper-count> <sync-id>CED0009131</sync-id> <structure-inchikey>FIKPXCOQUIZNHB-WDEREUQCSA-N</structure-inchikey> 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����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:50:43Z</structure-indexed-at> </compound>