AZD3463   

GtoPdb Ligand ID: 7706

Synonyms: AZD-3463 | CS-1382 | HY-15609 | KB-154896
Compound class: Synthetic organic
Comment: AZD3463 was investigated as a treatement for non-small cell lung cancer (NSCLC) patients who have developed resistance to crizotinib. AZD3463 inhibits the tyrosine kinases ALK and IGF1R. This compound is included in AstaZeneca's Open Innovation Pharmacology Toolbox.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 92.09
Molecular weight 448.18
XLogP 4.4
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1cc(ccc1Nc1ncc(c(n1)c1c[nH]c2c1cccc2)Cl)N1CCC(CC1)N
Isomeric SMILES COc1cc(ccc1Nc1ncc(c(n1)c1c[nH]c2c1cccc2)Cl)N1CCC(CC1)N
InChI InChI=1S/C24H25ClN6O/c1-32-22-12-16(31-10-8-15(26)9-11-31)6-7-21(22)29-24-28-14-19(25)23(30-24)18-13-27-20-5-3-2-4-17(18)20/h2-7,12-15,27H,8-11,26H2,1H3,(H,28,29,30)
InChI Key GCYIGMXOIWJGBU-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine
Synonyms
AZD-3463 | CS-1382 | HY-15609 | KB-154896
Database Links
CAS Registry No. 1356962-20-3
GtoPdb PubChem SID 223366039
PubChem CID 56599293
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