CP1-1189
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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
- CP1-1189
- DrugBank Accession Number
- DB12311
- Background
CPI-1189 has been used in trials studying the treatment of HIV Infections and AIDS Dementia Complex.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 234.299
Monoisotopic: 234.136827828 - Chemical Formula
- C13H18N2O2
- Synonyms
- Not Available
- External IDs
- CPI-1189
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
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Benzoic acids and derivatives
- Direct Parent
- Acylaminobenzoic acid and derivatives
- Alternative Parents
- Acetanilides / N-acetylarylamines / Benzamides / Benzoyl derivatives / Acetamides / Secondary carboxylic acid amides / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- Acetamide / Acetanilide / Acylaminobenzoic acid or derivatives / Anilide / Aromatic homomonocyclic compound / Benzamide / Benzoyl / Carbonyl group / Carboxamide group / Carboxylic acid derivative
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 9JX1L8VH4Z
- CAS number
- 183619-38-7
- InChI Key
- DJKNRCWSXSZACF-UHFFFAOYSA-N
- InChI
- InChI=1S/C13H18N2O2/c1-9(16)14-11-7-5-10(6-8-11)12(17)15-13(2,3)4/h5-8H,1-4H3,(H,14,16)(H,15,17)
- IUPAC Name
- N-tert-butyl-4-acetamidobenzamide
- SMILES
- CC(=O)NC1=CC=C(C=C1)C(=O)NC(C)(C)C
References
- General References
- Not Available
- External Links
- PubChem Compound
- 151118
- PubChem Substance
- 347828576
- ChemSpider
- 133196
- ZINC
- ZINC000000008596
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Unknown Status Treatment Human Immunodeficiency Virus (HIV) Infections 1 1 Completed Treatment AIDS-Related Dementia Complex / Human Immunodeficiency Virus (HIV) Infections 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 0.177 mg/mL ALOGPS logP 1.85 ALOGPS logP 1.34 Chemaxon logS -3.1 ALOGPS pKa (Strongest Acidic) 13.74 Chemaxon pKa (Strongest Basic) -0.84 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 58.2 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 68.7 m3·mol-1 Chemaxon Polarizability 26.27 Å3 Chemaxon Number of Rings 1 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 GC-MS Spectrum - GC-MS Predicted GC-MS splash10-03di-2900000000-741cce8c51daa8275f92 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-000i-0490000000-e293221a18da2015ee52 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-0190000000-1370f8ef2d9d80be9eff Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00lr-3980000000-803cc4cba3b2b5856457 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-00r6-0900000000-38230b65c0c08dfac4b4 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-014l-5900000000-4c70e8dc189eece2ee8a Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00xr-0900000000-5b9f3f0790705b70b09d 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]- 171.1844425 predictedDarkChem Lite v0.1.0 [M-H]- 156.83246 predictedDeepCCS 1.0 (2019) [M+H]+ 172.4245425 predictedDarkChem Lite v0.1.0 [M+H]+ 159.22804 predictedDeepCCS 1.0 (2019) [M+Na]+ 171.4687425 predictedDarkChem Lite v0.1.0 [M+Na]+ 165.14055 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:55 / Updated at June 12, 2020 16:53