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)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
11292 zoligratinib
Synonyms Click here for help
CH5183284 | DEBIO-1347 | DEBIO1347
Database Links Click here for help
CAS Registry No. 1265229-25-1 (source: PubChem)
GtoPdb PubChem SID 354702260
PubChem CID 66555680
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UniChem Compound Search for chemical match using the InChIKey BEMNJULZEQTDJY-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey BEMNJULZEQTDJY-UHFFFAOYSA-N