zorifertinib   Click here for help

GtoPdb Ligand ID: 10456

Synonyms: AZD-3759 | AZD3759 | compound 1m [PMID: 26313252]
Compound class: Synthetic organic
Comment: Zorifertinib (AZD3759) is an investigational EGFR tyrosine kinase inhibitor [1]. It is potent, orally active and brain-penetrant. AZD3759 was designed to target brain metastases in patients with advanced EGFR-driven lung cancer.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 79.82
Molecular weight 459.15
XLogP 3.12
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc2ncnc(c2cc1OC(=O)N1CCN(CC1C)C)Nc1cccc(c1F)Cl
Isomeric SMILES COc1cc2ncnc(c2cc1OC(=O)N1CCN(C[C@H]1C)C)Nc1cccc(c1F)Cl
InChI InChI=1S/C22H23ClFN5O3/c1-13-11-28(2)7-8-29(13)22(30)32-19-9-14-17(10-18(19)31-3)25-12-26-21(14)27-16-6-4-5-15(23)20(16)24/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H,25,26,27)/t13-/m1/s1
InChI Key MXDSJQHFFDGFDK-CYBMUJFWSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate
International Nonproprietary Names Click here for help
INN number INN
11144 zorifertinib
Synonyms Click here for help
AZD-3759 | AZD3759 | compound 1m [PMID: 26313252]
Database Links Click here for help
BindingDB Ligand 50123453
CAS Registry No. 1626387-80-1 (source: WHO INN record)
ChEMBL Ligand CHEMBL3623290
GtoPdb PubChem SID 385612216
PubChem CID 78209992
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