zurletrectinib   Click here for help

GtoPdb Ligand ID: 12389

Synonyms: Example 1 [US20210147445A1] | ICP-723 | ICP723
Compound class: Synthetic organic
Comment: This is the chemical structure for the INN zurletrectinib. The compound is claimed in patent US20210147445A1 (Innocare Pharma), as a neurotrophic tyrosine kinase (NTRK; Trk) inhibitor [1]. Innocare Pharma have disclosed pan-TRK lead ICP-723 as zurletrectinib on their pipeline webpage. Formal name-to-structure and mechanism of action discloure was published in June 2024 [2]. Zurletrectinib is an ATP-competitive inhibitor that is active at wild type TRKA, TRKB, and TRKC and which interacts with key residues at the gatekeeper position in each isozyme. It retains activity against TRKs harbouring inhibitor resistance mutations and is brain penetrant.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 96.68
Molecular weight 415.16
XLogP 2.96
No. Lipinski's rules broken 0

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

SMILES / InChI / InChIKey
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Canonical SMILES F[C@@H]1CN2[C@H](C1)c1cc(F)cnc1O[C@@H](C)CNC(=O)Nc1c3nc2ccn3nc1
Isomeric SMILES C[C@H]1CNC(=O)Nc2c3nc(ccn3nc2)N2C[C@H](C[C@@H]2c2c(O1)ncc(c2)F)F
InChI InChI=1S/C19H19F2N7O2/c1-10-6-23-19(29)25-14-8-24-28-3-2-16(26-17(14)28)27-9-12(21)5-15(27)13-4-11(20)7-22-18(13)30-10/h2-4,7-8,10,12,15H,5-6,9H2,1H3,(H2,23,25,29)/t10-,12-,15+/m0/s1
InChI Key OIBWCYRRWAMTRW-ITDIGPHOSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

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Summary of Clinical Use Click here for help
Zurletrectinib (ICP-723) is a lead candidate that is in clinical evaluation to determine efficacy for the treatment of advanced solid tumours with NTRK fusions, including primary central nervous system (CNS) tumours, and congenital infantile fibrosarcoma.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT05537987 Evaluate the Safety, Tolerability, and Pharmacokinetics of ICP-723 in Patients With Advanced Solid Tumors Phase 1 Interventional InnoCare Pharma Inc.
NCT05745623 A Phase 2 Study of ICP-723 in Patients With Advanced Solid Tumors or Primary Central Nervous System Tumors Phase 1/Phase 2 Interventional Beijing InnoCare Pharma Tech Co., Ltd.
NCT04685226 A Phase I/II Clinical Trial of ICP-723 in the Treatment of Advanced Solid Tumors Phase 1/Phase 2 Interventional Beijing InnoCare Pharma Tech Co., Ltd.