This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Silmitasertib
DrugBank Accession Number
DB15408
Background

Silmitasertib is under investigation in clinical trial NCT03904862 (Testing the Safety and Tolerability of CX-4945 in Patients With Recurrent Medulloblastoma Who May or May Not Have Surgery).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 349.77
Monoisotopic: 349.06180435
Chemical Formula
C19H12ClN3O2
Synonyms
  • Silmitasertib
External IDs
  • CX 4945

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
C6RWP0N0L2
CAS number
1009820-21-6
InChI Key
MUOKSQABCJCOPU-UHFFFAOYSA-N
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)
IUPAC Name
5-[(3-chlorophenyl)amino]benzo[c]2,6-naphthyridine-8-carboxylic acid
SMILES
OC(=O)C1=CC2=C(C=C1)C1=C(C=CN=C1)C(NC1=CC(Cl)=CC=C1)=N2

References

General References
Not Available
ChemSpider
25057795
BindingDB
50335638
ChEMBL
CHEMBL1230165
ZINC
ZINC000058638454
PDBe Ligand
3NG
Wikipedia
Silmitasertib
PDB Entries
3nga / 3pe1 / 5o11 / 6fyl / 6fyp / 6fyv / 6hmb / 6isj / 6k3l / 6khd
show 3 more

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentCoronavirus Disease 2019 (COVID‑19) / Infections, Coronavirus1
2CompletedTreatmentCoronavirus Disease 2019 (COVID‑19)1
1RecruitingTreatmentBasal Cell Carcinoma (BCC)1
1Unknown StatusTreatmentBreast Cancer / Castleman's Disease (CD) / Inflammatory Breast Cancer (IBC) / Multiple Myeloma (MM) / Solid Tumors, Advanced Solid Tumors1
1Unknown StatusTreatmentMultiple Myeloma (MM)1
1, 2CompletedTreatmentCholangiocarcinoma1
1, 2RecruitingTreatmentMedulloblastoma, Childhood1
Not AvailableRecruitingTreatmentRenal Cancers1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00234 mg/mLALOGPS
logP4.32ALOGPS
logP3.29ChemAxon
logS-5.2ALOGPS
pKa (Strongest Acidic)3.02ChemAxon
pKa (Strongest Basic)4.61ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area75.11 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity95.13 m3·mol-1ChemAxon
Polarizability35.31 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at May 20, 2019 15:26 / Updated at February 21, 2021 18:55