NAV

BQ-788

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

Identification

Generic Name
BQ-788
DrugBank Accession Number
DB17984
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 663.792
Monoisotopic: 663.36079325
Chemical Formula
C34H50N5NaO7
Synonyms
  • BQ 788
  • BQ788
  • D-norleucine, n-(((2r,6s)-2,6-dimethyl-1-piperidinyl)carbonyl)-4-methyl-l-leucyl-1-(methoxycarbonyl)-d-tryptophyl-, sodium salt (1:1)
External IDs
  • BQ-788
  • ENB-001
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
44OLL8XEJ4
CAS number
156161-89-6
InChI Key
QCVIFBRTTLMEOV-FUKQNADPSA-M
InChI
InChI=1S/C34H51N5O7.Na/c1-8-9-16-25(31(42)43)35-29(40)26(18-23-20-38(33(45)46-7)28-17-11-10-15-24(23)28)36-30(41)27(19-34(4,5)6)37-32(44)39-21(2)13-12-14-22(39)3;/h10-11,15,17,20-22,25-27H,8-9,12-14,16,18-19H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43);/q;+1/p-1/t21-,22-,25+,26+,27-;/m0./s1
IUPAC Name
sodium (2R)-2-[(2R)-2-[(2S)-2-{[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino}-4,4-dimethylpentanamido]-3-[1-(methoxycarbonyl)-1H-indol-3-yl]propanamido]hexanoate
SMILES
[Na+].CCCC[C@@H](NC(=O)[C@@H](CC1=CN(C(=O)OC)C2=CC=CC=C12)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C([O-])=O

References

General References
Not Available
ChemSpider
4470569
ChEMBL
CHEMBL1515091
Wikipedia
BQ-788

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedDiagnosticCoronary Vessels / Endothelins / Vascular Resistance1
1RecruitingBasic ScienceCardiovascular Disease (CVD) / Cardiovascular Risk / Vasoconstriction1
0TerminatedNot AvailableMelanoma1
Not AvailableActive Not RecruitingBasic ScienceType 2 Diabetes Mellitus1
Not AvailableCompletedNot AvailableHealthy Conditions1

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
logP4.13Chemaxon
pKa (Strongest Acidic)3.9Chemaxon
pKa (Strongest Basic)3.16Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area161.9 Å2Chemaxon
Rotatable Bond Count14Chemaxon
Refractivity183.3 m3·mol-1Chemaxon
Polarizability68.5 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at July 14, 2023 21:23 / Updated at July 18, 2023 22:59