zanzalintinib   Click here for help

GtoPdb Ligand ID: 12093

Synonyms: CL-092 | compound 8 [WO2019148044A1] [1] | XL-092 | XL092
Compound class: Synthetic organic
Comment: We obtained the chemical structure for zanzalintinib from the WHO's proposed INN list 127 (21 July 2022). In this document it was described as a tyrosine kinase inhibitor and antineoplastic. The synonym list in PubChem's record for this compound suggests that zanzalintinib is the INN for Exelixis's clinical lead XL092 which is an analogue of cabozantinib [3]. XL092 is an ATP-competitive inhibitor of multiple RTKs including MET, VEGFR2, AXL and MER [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 118.65
Molecular weight 528.18
XLogP 4.34
No. Lipinski's rules broken 0
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Canonical SMILES CNC(=O)c1cc2c(ccnc2cc1OC)Oc1ccc(cc1)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F
Isomeric SMILES Fc1ccc(cc1)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)Oc1ccnc2cc(c(cc12)C(=O)NC)OC
InChI InChI=1S/C29H25FN4O5/c1-31-26(35)22-15-21-23(16-25(22)38-2)32-14-11-24(21)39-20-9-7-19(8-10-20)34-28(37)29(12-13-29)27(36)33-18-5-3-17(30)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,35)(H,33,36)(H,34,37)