zoligratinib   Click here for help

GtoPdb Ligand ID: 9787

Synonyms: CH5183284 | DEBIO-1347 | DEBIO1347
PDB Ligand
Compound class: Synthetic organic
Comment: Zoligratinib (DEBIO1347) is a FGFR1/2/3 inhibitor that is being investigated for antineoplastic activity [1]. The compound is ATP-competitive, potent and orally available.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 104.86
Molecular weight 356.14
XLogP 3.44
No. Lipinski's rules broken 0
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Canonical SMILES Cc1nc2c([nH]1)cc(cc2)n1ncc(c1N)C(=O)c1cc2c([nH]1)cccc2
Isomeric SMILES Cc1nc2c([nH]1)cc(cc2)n1ncc(c1N)C(=O)c1cc2c([nH]1)cccc2
InChI InChI=1S/C20H16N6O/c1-11-23-16-7-6-13(9-17(16)24-11)26-20(21)14(10-22-26)19(27)18-8-12-4-2-3-5-15(12)25-18/h2-10,25H,21H2,1H3,(H,23,24)
1. Nakanishi Y, Akiyama N, Tsukaguchi T, Fujii T, Sakata K, Sase H, Isobe T, Morikami K, Shindoh H, Mio T et al.. (2014)
The fibroblast growth factor receptor genetic status as a potential predictor of the sensitivity to CH5183284/Debio 1347, a novel selective FGFR inhibitor.
Mol Cancer Ther, 13 (11): 2547-58. [PMID:25169980]
2. Voss MH, Hierro C, Heist RS, Cleary JM, Meric-Bernstam F, Tabernero J, Janku F, Gandhi L, Iafrate AJ, Borger DR et al.. (2019)
A Phase I, Open-Label, Multicenter, Dose-escalation Study of the Oral Selective FGFR Inhibitor Debio 1347 in Patients with Advanced Solid Tumors Harboring FGFR Gene Alterations.
Clin Cancer Res, 25 (9): 2699-2707. [PMID:30745300]