BMS-488043
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- BMS-488043
- DrugBank Accession Number
- DB05532
- Background
BMS-488043 has been investigated as an anti-HIV agent.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 422.441
Monoisotopic: 422.159019824 - Chemical Formula
- C22H22N4O5
- Synonyms
- Not Available
- External IDs
- BMS 043
- BMS 488043
- BMS-488043
Pharmacology
- Indication
Investigated for use/treatment in HIV infection.
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
Target Actions Organism UFree fatty acid receptor 4 Not Available Humans - 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAdenovirus type 7 vaccine live The therapeutic efficacy of Adenovirus type 7 vaccine live can be decreased when used in combination with BMS-488043. Anthrax vaccine The therapeutic efficacy of Anthrax vaccine can be decreased when used in combination with BMS-488043. Bacillus calmette-guerin substrain connaught live antigen The therapeutic efficacy of Bacillus calmette-guerin substrain connaught live antigen can be decreased when used in combination with BMS-488043. Bacillus calmette-guerin substrain russian BCG-I live antigen The therapeutic efficacy of Bacillus calmette-guerin substrain russian BCG-I live antigen can be decreased when used in combination with BMS-488043. Bacillus calmette-guerin substrain tice live antigen The therapeutic efficacy of Bacillus calmette-guerin substrain tice live antigen can be decreased when used in combination with BMS-488043. BCG vaccine The therapeutic efficacy of BCG vaccine can be decreased when used in combination with BMS-488043. Human adenovirus e serotype 4 strain cl-68578 antigen The therapeutic efficacy of Human adenovirus e serotype 4 strain cl-68578 antigen can be decreased when used in combination with BMS-488043. Rubella virus vaccine The therapeutic efficacy of Rubella virus vaccine can be decreased when used in combination with BMS-488043. Typhoid Vaccine Live The therapeutic efficacy of Typhoid Vaccine Live can be decreased when used in combination with BMS-488043. Varicella zoster vaccine (live/attenuated) The therapeutic efficacy of Varicella zoster vaccine (live/attenuated) can be decreased when used in combination with BMS-488043. Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Pyrrolopyridines
- Sub Class
- Not Available
- Direct Parent
- Pyrrolopyridines
- Alternative Parents
- Benzamides / Benzoyl derivatives / Aryl ketones / Alkyl aryl ethers / Substituted pyrroles / Pyridines and derivatives / Piperazines / Vinylogous amides / Tertiary carboxylic acid amides / Heteroaromatic compounds show 5 more
- Substituents
- 1,4-diazinane / Alkyl aryl ether / Aromatic heteropolycyclic compound / Aryl ketone / Azacycle / Benzamide / Benzenoid / Benzoic acid or derivatives / Benzoyl / Carbonyl group show 20 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Humans and other mammals
- Human Immunodeficiency Virus
Chemical Identifiers
- UNII
- MKS21EJ435
- CAS number
- 452296-83-2
- InChI Key
- DBPMWRYLTBNCCE-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H22N4O5/c1-30-16-13-24-20(31-2)18-17(16)15(12-23-18)19(27)22(29)26-10-8-25(9-11-26)21(28)14-6-4-3-5-7-14/h3-7,12-13,23H,8-11H2,1-2H3
- IUPAC Name
- 1-(4-benzoylpiperazin-1-yl)-2-{4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl}ethane-1,2-dione
- SMILES
- COC1=C2C(NC=C2C(=O)C(=O)N2CCN(CC2)C(=O)C2=CC=CC=C2)=C(OC)N=C1
References
- General References
- Kadow J, Wang HG, Lin PF: Small-molecule HIV-1 gp120 inhibitors to prevent HIV-1 entry: an emerging opportunity for drug development. Curr Opin Investig Drugs. 2006 Aug;7(8):721-6. [Article]
- External Links
- ChemSpider
- 443361
- BindingDB
- 50228465
- ChEMBL
- CHEMBL238103
- ZINC
- ZINC000028826898
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0992 mg/mL ALOGPS logP 1.58 ALOGPS logP 1.22 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 8.6 Chemaxon pKa (Strongest Basic) 2.35 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 104.83 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 113.03 m3·mol-1 Chemaxon Polarizability 43.35 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
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Targets

Build, predict & validate machine-learning models
Use our structured and evidence-based datasets to unlock newinsights and accelerate drug research.
Use our structured and evidence-based datasets to unlock new insights and accelerate drug research.
1. DetailsFree fatty acid receptor 4
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Taste receptor activity
- Specific Function
- Receptor for medium and long-chain free fatty acids (FFAs). Signals via a G(q)/G(11)-coupled pathway. Acts as a receptor for omega-3 fatty acids and mediates robust anti-inflammatory effects, parti...
- Gene Name
- FFAR4
- Uniprot ID
- Q5NUL3
- Uniprot Name
- Free fatty acid receptor 4
- Molecular Weight
- 42240.72 Da
References
- Kadow J, Wang HG, Lin PF: Small-molecule HIV-1 gp120 inhibitors to prevent HIV-1 entry: an emerging opportunity for drug development. Curr Opin Investig Drugs. 2006 Aug;7(8):721-6. [Article]
Drug created at November 18, 2007 18:25 / Updated at June 12, 2020 16:52