CT-179
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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
- CT-179
- DrugBank Accession Number
- DB17114
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 397.3
Monoisotopic: 396.1232148 - Chemical Formula
- C17H22Cl2N6O
- Synonyms
- 1-(2-(3-(3,4-dichlorophenyl)ureido)-6-methyl-pyrimidin-4-yl)-amino-3(dimethylamino)propane
- CT 179
- CT179
- Urea, n-(3,4-dichlorophenyl)-n'-(4-((3-(dimethylamino)propyl)amino)-6-methyl-2-pyrimidinyl)-
- External IDs
- CT-179
Pharmacology
- Indication
Not Available
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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
- 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 CT-179 dimesylate FG4454219O Not Available MFBAJVNMQBMPQR-UHFFFAOYSA-N
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 4Z0F3ZM8ZD
- CAS number
- 1996636-69-1
- InChI Key
- MWEZWAONAIZIAQ-UHFFFAOYSA-N
- InChI
- InChI=1S/C17H22Cl2N6O/c1-11-9-15(20-7-4-8-25(2)3)23-16(21-11)24-17(26)22-12-5-6-13(18)14(19)10-12/h5-6,9-10H,4,7-8H2,1-3H3,(H3,20,21,22,23,24,26)
- IUPAC Name
- 1-(3,4-dichlorophenyl)-3-(4-{[3-(dimethylamino)propyl]amino}-6-methylpyrimidin-2-yl)urea
- SMILES
- CN(C)CCCNC1=NC(NC(=O)NC2=CC=C(Cl)C(Cl)=C2)=NC(C)=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 64854807
Clinical Trials
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 0.0181 mg/mL ALOGPS logP 3.71 ALOGPS logP 3.12 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) 10.44 Chemaxon pKa (Strongest Basic) 9.36 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 82.18 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 110.26 m3·mol-1 Chemaxon Polarizability 39.9 Å3 Chemaxon Number of Rings 2 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
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at November 16, 2022 00:42 / Updated at September 28, 2023 05:47