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
SMILES / InChI / InChIKey
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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)
InChI Key BEMNJULZEQTDJY-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
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
RCSB PDB Ligand LWJ
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