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
Structure for Silmitasertib (DB15408)
- Weight
- Average: 349.77
Monoisotopic: 349.06180435 - Chemical Formula
- C19H12ClN3O2
- Synonyms
- Silmitasertib
- External IDs
- CX 4945
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- 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
- External Links
- 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 6 more
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Coronavirus Disease 2019 (COVID‑19) 1 2 Terminated Treatment Coronavirus Disease 2019 (COVID‑19) / Infections, Coronavirus 1 1 Active Not Recruiting Treatment Basal Cell Carcinoma (BCC) 1 1 Unknown Status Treatment Advanced Solid Tumors / Breast Cancer / Castleman Disease / Inflammatory Breast Cancer (IBC) / Multiple Myeloma (MM) 1 1 Unknown Status Treatment Multiple Myeloma (MM) 1 1, 2 Completed Treatment Cholangiocarcinoma 1 1, 2 Recruiting Treatment Childhood Medulloblastoma 1 Not Available Recruiting Treatment Renal Cancer 1
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
Property Value Source Water Solubility 0.00234 mg/mL ALOGPS logP 4.32 ALOGPS logP 3.29 Chemaxon logS -5.2 ALOGPS pKa (Strongest Acidic) 3.02 Chemaxon pKa (Strongest Basic) 4.61 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 75.11 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 95.13 m3·mol-1 Chemaxon Polarizability 35.31 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - 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