CX-5011   Click here for help

GtoPdb Ligand ID: 9373

Compound class: Synthetic organic
Comment: CX-5011 is a selective, small molecule, ATP-competitive (type I) inhibitor of casein kinase 2 (CK2), described in the same article as silmitasertib and CX-5279 [1].
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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 3
Topological polar surface area 90.83
Molecular weight 339.09
XLogP 2.76
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C#Cc1cccc(c1)Nc1nc2cc(ccc2c2c1ncnc2)C(=O)[O-]
Isomeric SMILES C#Cc1cccc(c1)Nc1nc2cc(ccc2c2c1ncnc2)C(=O)[O-]
InChI InChI=1S/C20H12N4O2/c1-2-12-4-3-5-14(8-12)23-19-18-16(10-21-11-22-18)15-7-6-13(20(25)26)9-17(15)24-19/h1,3-11H,(H,23,24)(H,25,26)/p-1
InChI Key HJGFPNFAFSFDNN-UHFFFAOYSA-M
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-(3-ethynylanilino)pyrimido[4,5-c]quinoline-8-carboxylate
Database Links Click here for help
BindingDB Ligand 92756
GtoPdb PubChem SID 328083475
PubChem CID 72200352
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