Silmitasertib
5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
Molecular Identity
Silmitasertib
5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
PubChem CID: 24748573
CX-4945 (Silmitasertib) is a potent and selective casein kinase 2 (CK2) inhibitor with IC50 value of 1 nM. It is ATP-competitive and can be taken orally.
2D Structure
Properties
C19H12ClN3O2
Molecular Formula
349.80
Molecular Weight
g/mol
349.0618
Exact Mass
Da
4.4
XLogP
Drug-like (Lipinski: < 5)
75.1
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
491
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC(=C1)Cl)NC2=NC3=C(C=CC(=C3)C(=O)O)C4=C2C=CN=C4Isomeric SMILES
SMILES: C1=CC(=CC(=C1)Cl)NC2=NC3=C(C=CC(=C3)C(=O)O)C4=C2C=CN=C4Synonyms(20)
Silmitasertib1009820-21-6CX-4945CX 4945CX4945silmitasertibumCx-4945 free acidC6RWP0N0L25-(3-chlorophenylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid5-[(3-chlorophenyl)amino]-Benzo[c]-2,6-naphthyridine-8-carboxylic acidDTXSID401436025-[(3-chlorophenyl)amino]benzo[c]2,6-naphthyridine-8-carboxylic acid5-(3-chlorophenylamino)benzo(c)(2,6)naphthyridine-8-carboxylic acid5-((3-chlorophenyl)amino)pyrido(4,3-c)quinoline-8-carboxylic acid5-[(3-chlorophenyl)amino]pyrido[4,3-c]quinoline-8-carboxylic acid
Data from PubChem (NCBI)
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