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Chemical structure of CH5424802

GC16025

CH5424802

Also known as 9-ethyl-6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

CH5424802 (CH5424802) is a potent, selective, and orally available ALK inhibitor with an IC50 of 1·9 nM and a Kd value of 2·4 nM (in an ATP-competitive manner), and also inhibits ALK F1174L and ALK R1275Q with IC50s of 1 nM and 3·5 nM, respectively· CH5424802 demonstrates effective central nervous system (CNS) penetration

ChemicalCAS1256580-46-7MW482.62FormulaC30H34N4O2
CAS number
1256580-46-7
Molecular weight
482.62
Formula
C30H34N4O2
Solubility
≥ 4·83mg/mL in DMSO with ultrasonic and warming
InChIKey
KDGFLJKFZUIJMX-UHFFFAOYSA-N
Catalogue number
GC16025
Brand
GLPBIO
Computed properties PubChem CID 49806720 · XLogP 5.2 · TPSA 72.4 Ų · H-bond donors 1
XLogP
5.2
TPSA
72.4 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
36

SMILES CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C

Computed descriptors from PubChem (CID 49806720), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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