Clemizole
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Clemizole
- DrugBank Accession Number
- DB15932
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 325.84
Monoisotopic: 325.1345754 - Chemical Formula
- C19H20ClN3
- Synonyms
- Clemizol
- Clemizole
- Clemizolo
- Clemizolum
- External IDs
- 207-133-5
- NSC-46261
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.- Associated Conditions
Indication Type Indication Combined Product Details Approval Level Age Group Patient Characteristics Dose Form Used in combination for symptomatic treatment of Fever Combination Product in combination with: Phenylephrine (DB00388), Salicylamide (DB08797), Acetaminophen (DB00316) •••••••••••• ••••••• •••••• Used in combination for symptomatic treatment of Flu caused by influenza Combination Product in combination with: Acetaminophen (DB00316), Phenylephrine (DB00388), Salicylamide (DB08797) •••••••••••• ••••••• •••••• Used in combination for symptomatic treatment of Headache Combination Product in combination with: Salicylamide (DB08797), Phenylephrine (DB00388), Acetaminophen (DB00316) •••••••••••• ••••••• •••••• - Associated Therapies
- Contraindications & Blackbox Warnings
- Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API
- 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. View sample adverse effects data in our new Data Library!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
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Clemizole hydrochloride 85W6I13D8M 1163-36-6 DNFMJYXRIMLMBZ-UHFFFAOYSA-N
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- T97CB3796L
- CAS number
- 442-52-4
- InChI Key
- CJXAEXPPLWQRFR-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2
- IUPAC Name
- 1-[(4-chlorophenyl)methyl]-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazole
- SMILES
- ClC1=CC=C(CN2C(CN3CCCC3)=NC3=CC=CC=C23)C=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 2680
- BindingDB
- 85747
- ChEBI
- 52140
- ChEMBL
- CHEMBL1407943
- ZINC
- ZINC000000057260
- PDBe Ligand
- GX0
- Wikipedia
- Clemizole
- PDB Entries
- 7d4p
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Not Yet Recruiting Treatment Lennox-Gastaut Syndrome 1 2 Recruiting Treatment Dravet Syndrome (DS) 1 2 Unknown Status Treatment Hepatocellular Carcinoma 1 1 Completed Treatment Dravet Syndrome (DS) 1 1 Completed Treatment Hepatitis C Virus (HCV) Infection 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 0.02 mg/mL ALOGPS logP 4.09 ALOGPS logP 4.23 Chemaxon logS -4.2 ALOGPS pKa (Strongest Basic) 7.42 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 21.06 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 94.69 m3·mol-1 Chemaxon Polarizability 35.44 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0019000000-0a32c3003f05d1616b8e Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00di-0039000000-ac86a0c12616a29d648f Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0029000000-de01dc4e9b0151734dff Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00di-3439000000-9fce0ce26a5aaf8b0ea3 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-003r-6971000000-e84ad945f0e3d77aabe3 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9100000000-5e3ce279e241a5c40934 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 177.08504 predictedDeepCCS 1.0 (2019) [M+H]+ 179.44304 predictedDeepCCS 1.0 (2019) [M+Na]+ 185.85692 predictedDeepCCS 1.0 (2019)
Drug created at November 24, 2020 17:48 / Updated at February 21, 2021 18:55