silmitasertib   Click here for help

GtoPdb Ligand ID: 8126

Synonyms: CX 4945 | CX-4945 | CX4945
PDB Ligand
Compound class: Synthetic organic
Comment: Silmitasertib (CX-4945) is a a potent and selective inhibitor of CK2 (casein kinase 2) [4-5]. CX-4945 is described in the same article as CX-5011 and CX-5279 [1].

SARS-CoV-2
Silmitasertib, via inhibition of CK2, was found to produce an in vitro antiviral effect (IC50 = 2.34 μM;) [2]. In conjunction with data supporting a physical interaction [3] and co-localization of CK2 with SARS-CoV-2 N protein, and evidence of potential role of CK2 in remodeling extracellular matrix upon infection [2], it can be hypothesised that the CK2 pathway is hijacked by SARS-CoV-2. Thus, it makes pharmacological sense that silmitasertib should be considered for investigation as an anti-SARS-CoV-2 therapeutic.
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2D Structure
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Physico-chemical Properties
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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
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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
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Summary of Clinical Use Click here for help
Silmitasertib (CX-4945) has advanced to Phase 1/2 evaluation in solid tumours. Click here to link to ClinicalTrials.gov's full list of CX-4945 studies.

SARS-CoV-2: Silmitasertib's developer, Senhwa Biosciences are partnering with the NIH to bring this agent to clinical trial for treatment of COVID-19. It is most likely to be effective as an adjuvant drug, as it does not directly target the coronavirus or reduce lung damage.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT03904862 Testing the Safety and Tolerability of CX-4945 in Patients With Recurrent Medulloblastoma Who May or May Not Have Surgery Phase 1/Phase 2 Interventional Pediatric Brain Tumor Consortium