Details of the Drug

General Information of Drug (ID: DMWE7B9)

Drug Name
CX-4945
Synonyms
1009820-21-6; Silmitasertib; CX-4945; 5-((3-Chlorophenyl)amino)benzo[c][2,6]naphthyridine-8-carboxylic acid; CX4945; CX-4945 (Silmitasertib); CX 4945; UNII-C6RWP0N0L2; 5-[(3-chlorophenyl)amino]-Benzo[c]-2,6-naphthyridine-8-carboxylic acid; 5-(3-chlorophenylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid; C6RWP0N0L2; CHEMBL1230165; AK-82006; 5-[(3-Chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-Carboxylic Acid; 5-((3-Chlorophenyl)amino)benzo-[c][2,6]naphthyridine-8-carboxylic acid; C19H12ClN3O2; W-204393
Indication
Disease Entry ICD 11 Status REF
Coronavirus infection 1D92 Phase 2 [1]
Cholangiocarcinoma 2C12.10 Phase 1/2 [2]
Solid tumour/cancer 2A00-2F9Z Phase 1 [3]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 349.8
Logarithm of the Partition Coefficient (xlogp) 4.4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C19H12ClN3O2
IUPAC Name
5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
Canonical SMILES
C1=CC(=CC(=C1)Cl)NC2=NC3=C(C=CC(=C3)C(=O)O)C4=C2C=CN=C4
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)
InChIKey
MUOKSQABCJCOPU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24748573
CAS Number
1009820-21-6
TTD ID
D09JEJ
VARIDT ID
DR00803
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Casein kinase II (CSNK2) TTZ5NI7 NOUNIPROTAC Modulator [4]
Casein kinase II alpha (CSNK2A1) TTER6YH CSK21_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Coronavirus infection
ICD Disease Classification 1D92
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Casein kinase II alpha (CSNK2A1) DTT CSNK2A1 6.82E-04 0.29 2.43
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT04668209) Silmitasertib (CX-4945) in Patients With Severe Coronavirus Disease 2019 (COVID-19) (CX4945). U.S. National Institutes of Health.
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 8126).
4 CX-4945, a selective inhibitor of casein kinase-2 (CK2), exhibits anti-tumor activity in hematologic malignancies including enhanced activity in chronic lymphocytic leukemia when combined with fludarabine and inhibitors of the B-cell receptor pathway. Leukemia. 2013 Oct;27(10):2094-6.