This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- BQ-123
- DrugBank Accession Number
- DB12054
- Background
BQ-123 has been investigated for the basic science and treatment of Coronary Artery Disease, Aorto-coronary Bypass Grafting, and ST-Elevation Myocardial Infarction.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for BQ-123 (DB12054)
- Weight
- Average: 610.712
Monoisotopic: 610.311497716 - Chemical Formula
- C31H42N6O7
- Synonyms
- Not Available
- External IDs
- BQ123
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.- 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
- 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.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 softwareAbaloparatide Abaloparatide may increase the hypotensive activities of BQ-123. Acebutolol Acebutolol may increase the hypotensive activities of BQ-123. Aceclofenac The therapeutic efficacy of BQ-123 can be decreased when used in combination with Aceclofenac. Acemetacin The therapeutic efficacy of BQ-123 can be decreased when used in combination with Acemetacin. Acetylsalicylic acid Acetylsalicylic acid may decrease the antihypertensive activities of BQ-123. Alclofenac The therapeutic efficacy of BQ-123 can be decreased when used in combination with Alclofenac. Aldesleukin Aldesleukin may increase the hypotensive activities of BQ-123. Alfentanil Alfentanil may decrease the antihypertensive activities of BQ-123. Alfuzosin Alfuzosin may increase the hypotensive activities of BQ-123. Aliskiren Aliskiren may increase the hypotensive activities of BQ-123. 
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
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 Bq 123 Sodium 05427HSQ1I 136655-57-7 FLIKEIGEOXCRRG-JKNHBXRPSA-M
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Oligopeptides
- Alternative Parents
- Cyclic peptides / Macrolactams / 3-alkylindoles / Alpha amino acids and derivatives / Substituted pyrroles / Benzenoids / Tertiary carboxylic acid amides / Pyrrolidines / Heteroaromatic compounds / Secondary carboxylic acid amides show 9 more
- Substituents
- 3-alkylindole / Alpha-amino acid or derivatives / Alpha-oligopeptide / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carbonyl group / Carboxamide group / Carboxylic acid / Cyclic alpha peptide show 19 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- cyclic peptide (CHEBI:2965)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- S2A8YZM151
- CAS number
- 136553-81-6
- InChI Key
- VYCMAAOURFJIHD-PJNXIOHISA-N
- InChI
- InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23+,24-,26+/m0/s1
- IUPAC Name
- 2-[(3R,6S,9R,12R,17aS)-9-[(1H-indol-3-yl)methyl]-6-(2-methylpropyl)-1,4,7,10,13-pentaoxo-3-(propan-2-yl)-hexadecahydro-1H-pyrrolo[1,2-a]1,4,7,10,13-pentaazacyclopentadecan-12-yl]acetic acid
- SMILES
- CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC1=O)C(C)C
References
- General References
- Not Available
- External Links
- KEGG Compound
- C11587
- PubChem Compound
- 443289
- PubChem Substance
- 347828364
- ChemSpider
- 391535
- BindingDB
- 50197954
- ChEBI
- 2965
- ChEMBL
- CHEMBL314691
- ZINC
- ZINC000003926620
- Wikipedia
- BQ-123
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Pulmonary Hypertension (PH) 1 2 Completed Treatment Reperfusion Injury, Myocardial 1 2 Completed Treatment ST Segment Elevation Myocardial Infarction (STEMI) 1 2 Unknown Status Treatment Aorto-coronary Bypass Grafting / Coronary Artery Disease (CAD) 1 1 Completed Basic Science Chronic Kidney Disease (CKD) / Proteinuria 1 1 Completed Diagnostic Coronary Vessels / Endothelins / Vascular Resistance 1 1 Recruiting Basic Science Cardiovascular Disease (CVD) / Cardiovascular Risk / Vasoconstriction 1 1 Recruiting Basic Science Chronic Obstructive Pulmonary Disease (COPD) / Heart Failure / Hypertension / Pulmonary Arterial Hypertension (PAH) 1 1 Withdrawn Other Hypertension / Multiple System Atrophy (MSA) / Progressive autonomic failure 1 0 Completed Basic Science Heart Failure 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 0.13 mg/mL ALOGPS logP 1.09 ALOGPS logP 0.84 Chemaxon logS -3.7 ALOGPS pKa (Strongest Acidic) 4.04 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 189.8 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 158.59 m3·mol-1 Chemaxon Polarizability 62.8 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes 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
Drug created at October 20, 2016 21:16 / Updated at June 12, 2020 16:53