silmitasertib   

GtoPdb Ligand ID: 8126

Synonyms: CX 4945 | CX-4945 | CX4945
Compound class: Synthetic organic
Comment: Silmitasertib (CX-4945) is a a potent and selective inhibitor of CK2 (casein kinase 2) [2-3]. CX-4945 is described in the same article as CX-5011 and CX-5279 [1]
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 75.11
Molecular weight 349.06
XLogP 4.32
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Clc1cccc(c1)Nc1nc2cc(ccc2c2c1ccnc2)C(=O)O
Isomeric SMILES Clc1cccc(c1)Nc1nc2cc(ccc2c2c1ccnc2)C(=O)O
InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
InChI Key MUOKSQABCJCOPU-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
5-[(3-chlorophenyl)amino]pyrido[4,3-c]quinoline-8-carboxylic acid
International Nonproprietary Names
INN number INN
9213 silmitasertib
Synonyms
CX 4945 | CX-4945 | CX4945
Comments
Silmitasertib (CX-4945) is a a potent and selective inhibitor of CK2 (casein kinase 2) [2-3]. CX-4945 is described in the same article as CX-5011 and CX-5279 [1]
Database Links
CAS Registry No. 1009820-21-6
ChEMBL Ligand CHEMBL1230165
GtoPdb PubChem SID 249565806
PubChem CID 24748573
RCSB PDB Ligand 3NG
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SynPHARM 81423 (in complex with casein kinase 2, alpha 1 polypeptide subunit)