ALK-IN-9 | CAS 2359662-39-6 | AnyMole

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HIT214323351

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HIT214323351

HIT ID:HIT214323351
Cas No:2359662-39-6
常用名:ALK-IN-9
IUPAC:(18R)-13-fluoro-7,7,18-trimethyl-9,20-dioxa-1,2,6,11,17,23-hexaazapentacyclo[19.3.1.0^{4,24}.0^{10,15}.0^{17,22}]pentacosa-2,4(24),10(15),11,13,21(25),22-heptaen-5-one
IUPAC:(18R)-13-fluoro-7,7,18-trimethyl-9,20-dioxa-1,2,6,11,17,23-hexaazapentacyclo[19.3.1.0^{4,24}.0^{10,15}.0^{17,22}]pentacosa-2,4(24),10(15),11,13,21(25),22-heptaen-5-one
InChI key:KNGXEAMYHAUVNK-LLVKDONJSA-N

分子式:C20H21FN6O3
分子量:412.425
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@@H]1COc2cn3ncc4C(=O)NC(C)(C)COc5ncc(F)cc5CN1c2nc34
SMILES:C[C@@H]1COc2cn3ncc4C(=O)NC(C)(C)COc5ncc(F)cc5CN1c2nc34

ALK-IN-9 (compound 40) is a highly effective ALK inhibitor. It demonstrates remarkable inhibitory activity against cell proliferation, with IC50 values of <0.2 nM for Ba/F3-EML4-ALK, KM 12 (TPM3-TRKA), and KG-l cell (OP2-FGFR1).

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TargetMolSC
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6-8周
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