BQ-123

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
BQ-123
Accession Number
DB12054
Type
Small Molecule
Groups
Investigational
Description

BQ-123 has been investigated for the basic science and treatment of Coronary Artery Disease, Aorto-coronary Bypass Grafting, and ST-Elevation Myocardial Infarction.

Structure
Thumb
Synonyms
Not Available
External IDs
BQ123
Product Ingredients
IngredientUNIICASInChI Key
Bq 123 Sodium05427HSQ1I136655-57-7FLIKEIGEOXCRRG-JKNHBXRPSA-M
Categories
UNII
S2A8YZM151
CAS number
136553-81-6
Weight
Average: 610.712
Monoisotopic: 610.311497716
Chemical Formula
C31H42N6O7
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
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.
DrugInteraction
1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid may decrease the antihypertensive activities of BQ-123.
1-benzylimidazole1-benzylimidazole may decrease the antihypertensive activities of BQ-123.
2,5-Dimethoxy-4-ethylamphetamine2,5-Dimethoxy-4-ethylamphetamine may decrease the antihypertensive activities of BQ-123.
2,5-Dimethoxy-4-ethylthioamphetamine2,5-Dimethoxy-4-ethylthioamphetamine may decrease the antihypertensive activities of BQ-123.
4-Bromo-2,5-dimethoxyamphetamine4-Bromo-2,5-dimethoxyamphetamine may decrease the antihypertensive activities of BQ-123.
4-Methoxyamphetamine4-Methoxyamphetamine may decrease the antihypertensive activities of BQ-123.
5-methoxy-N,N-dimethyltryptamine5-methoxy-N,N-dimethyltryptamine may decrease the antihypertensive activities of BQ-123.
7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline may increase the hypotensive activities of BQ-123.
AbediterolAbediterol may decrease the antihypertensive activities of BQ-123.
AcebutololThe therapeutic efficacy of BQ-123 can be increased when used in combination with Acebutolol.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Compound
C11587
PubChem Compound
443289
PubChem Substance
347828364
ChemSpider
391535
BindingDB
50197954
ChEBI
2965
ChEMBL
CHEMBL314691
Wikipedia
BQ-123

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
0CompletedBasic ScienceHeart Failure1
1CompletedBasic ScienceChronic Kidney Disease (CKD) / Proteinuria1
1CompletedDiagnosticCoronary Vessels / Endothelins / Vascular Resistance1
1Enrolling by InvitationOtherHigh Blood Pressure (Hypertension) / Multiple System Atrophy (MSA) / Progressive autonomic failure1
1RecruitingBasic ScienceCardiovascular Disease (CVD) / Cardiovascular Risk Factors / Vasoconstriction1
1RecruitingBasic ScienceChronic Obstructive Pulmonary Disease (COPD) / Heart Failure / High Blood Pressure (Hypertension) / Pulmonary Arterial Hypertension (PAH)1
2CompletedTreatmentMyocardial Reperfusion Injury1
2CompletedTreatmentPulmonary Hypertension (PH)1
2CompletedTreatmentST Elevation Myocardial Infarction (STEMI)1
2Unknown StatusTreatmentAorto-coronary Bypass Grafting / Coronary Artery Disease1
Not AvailableCompletedNot AvailableCardiovascular Disease (CVD) / Chronic Kidney Disease (CKD)1
Not AvailableCompletedNot AvailableCoronary Artery Atherosclerosis1
Not AvailableCompletedNot AvailableHealthy Conditions1
Not AvailableCompletedBasic ScienceCoronary Heart Disease (CHD)1
Not AvailableCompletedBasic ScienceHealthy Volunteers1
Not AvailableRecruitingTreatmentVasculitis1

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 Solubility0.13 mg/mLALOGPS
logP1.09ALOGPS
logP0.84ChemAxon
logS-3.7ALOGPS
pKa (Strongest Acidic)4.04ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area189.8 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity158.59 m3·mol-1ChemAxon
Polarizability62.8 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
Alpha-oligopeptide / Cyclic alpha peptide / Macrolactam / Alpha-amino acid or derivatives / 3-alkylindole / Indole / Indole or derivatives / Substituted pyrrole / Benzenoid / Pyrrole
show 19 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
cyclic peptide (CHEBI:2965)

Drug created on October 20, 2016 15:16 / Updated on November 02, 2019 04:35