CP1-1189

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

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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 outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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
PubChem Compound
151118
PubChem Substance
347828576
ChemSpider
133196
ZINC
ZINC000000008596

Clinical Trials

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
PropertyValueSource
Water Solubility0.177 mg/mLALOGPS
logP1.85ALOGPS
logP1.34Chemaxon
logS-3.1ALOGPS
pKa (Strongest Acidic)13.74Chemaxon
pKa (Strongest Basic)-0.84Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area58.2 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity68.7 m3·mol-1Chemaxon
Polarizability26.27 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-03di-2900000000-741cce8c51daa8275f92
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0490000000-e293221a18da2015ee52
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0190000000-1370f8ef2d9d80be9eff
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00lr-3980000000-803cc4cba3b2b5856457
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00r6-0900000000-38230b65c0c08dfac4b4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014l-5900000000-4c70e8dc189eece2ee8a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00xr-0900000000-5b9f3f0790705b70b09d
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-171.1844425
predicted
DarkChem Lite v0.1.0
[M-H]-156.83246
predicted
DeepCCS 1.0 (2019)
[M+H]+172.4245425
predicted
DarkChem Lite v0.1.0
[M+H]+159.22804
predicted
DeepCCS 1.0 (2019)
[M+Na]+171.4687425
predicted
DarkChem Lite v0.1.0
[M+Na]+165.14055
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:55 / Updated at June 12, 2020 16:53