Name: CDK8/19-IN-1
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT212671715
Cas No:1818427-07-4
常用名:CDK8/19-IN-1
IUPAC:12-({6-[(2-methoxyethyl)carbamoyl]pyridin-3-yl}oxy)-3,11-dithia-4-azatricyclo[7.3.0.0^{2,6}]dodeca-1(12),2(6),4,9-tetraene-10-carboxamide
IUPAC:12-({6-[(2-methoxyethyl)carbamoyl]pyridin-3-yl}oxy)-3,11-dithia-4-azatricyclo[7.3.0.0^{2,6}]dodeca-1(12),2(6),4,9-tetraene-10-carboxamide
InChI key:NENJFZKQHYXRDQ-UHFFFAOYSA-N

分子式:C19H18N4O4S2
分子量:430.5
氢键供体数 (HBD):2
氢键受体数 (HBA):5
LogP:1.7752311
SMILES:COCCNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
SMILES:COCCNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1

CDK8/19-IN-1 is a selective and oral bioavailable CDK8/19 dual inhibitor (IC50s: 0.46 nM, 0.99 nM, and 270 nM for CDK8, CDK19, and CDK9).

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