Bradykinin

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

Identification

Name
Bradykinin
Accession Number
DB12126
Description

Bradykinin has been investigated for the basic science and treatment of Hypertension and Diabetes Type 2.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 1060.2085
Monoisotopic: 1059.561398253
Chemical Formula
C50H73N15O11
Synonyms
  • L-bradykinin
External IDs
  • Bradykinin (synthetic)
  • BRS 640
  • BRS-640
  • PRS 640

Pharmacology

Indication
Not Available
Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
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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
Learn about our commercial Adverse Effects data.
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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
Isosorbide mononitrateBradykinin may increase the vasodilatory activities of Isosorbide mononitrate.
Patent BlueThe therapeutic efficacy of Bradykinin can be decreased when used in combination with Patent Blue.
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

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  • Action
    Action

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Food Interactions
Not Available

Products

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
Phenylalanine and derivatives / Proline and derivatives / N-acyl-L-alpha-amino acids / Alpha amino acid amides / Amphetamines and derivatives / Pyrrolidinecarboxamides / N-acylpyrrolidines / Fatty amides / Tertiary carboxylic acid amides / Secondary carboxylic acid amides
show 13 more
Substituents
Alcohol / Alpha-amino acid amide / Alpha-amino acid or derivatives / Alpha-oligopeptide / Amine / Amino acid / Amino acid or derivatives / Amphetamine or derivatives / Aromatic heteromonocyclic compound / Azacycle
show 35 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
oligopeptide (CHEBI:3165) / Bradykinin [KO:K03898] (C00306)

Chemical Identifiers

UNII
S8TIM42R2W
CAS number
58-82-2
InChI Key
QXZGBUJJYSLZLT-FDISYFBBSA-N
InChI
InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1
IUPAC Name
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-(2-{[(2S)-1-[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}acetamido)-3-phenylpropanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-5-carbamimidamidopentanoic acid
SMILES
N[[email protected]@H](CCCNC(N)=N)C(=O)N1CCC[[email protected]]1C(=O)N1CCC[[email protected]]1C(=O)NCC(=O)N[[email protected]@H](CC1=CC=CC=C1)C(=O)N[[email protected]@H](CO)C(=O)N1CCC[[email protected]]1C(=O)N[[email protected]@H](CC1=CC=CC=C1)C(=O)N[[email protected]@H](CCCNC(N)=N)C(O)=O

References

General References
Not Available
Human Metabolome Database
HMDB0004246
KEGG Compound
C00306
PubChem Compound
439201
PubChem Substance
347828425
ChemSpider
388341
BindingDB
50049949
ChEBI
3165
ChEMBL
CHEMBL406291
PharmGKB
PA166109574
Wikipedia
Bradykinin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4RecruitingBasic ScienceHigh Blood Pressure (Hypertension)1
2TerminatedDiagnosticHyperlipidemias1
2Unknown StatusTreatmentAngioedema1
1CompletedTreatmentHealthy Volunteers1
1TerminatedDiagnosticCoronary Artery Disease (CAD)1
1Unknown StatusEducational/Counseling/TrainingHealthy Volunteers1
0CompletedBasic ScienceBMI >30 kg/m2 / Endothelial Dysfunction / Vasodilation / Venous Occlusion Plethysmography1
Not AvailableCompletedBasic ScienceHealthy Volunteers1
Not AvailableCompletedBasic ScienceIschemic Heart Disease2
Not AvailableCompletedHealth Services ResearchBMI >30 kg/m21

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
logP-6.4ChemAxon
pKa (Strongest Acidic)3.39ChemAxon
pKa (Strongest Basic)12.44ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count18ChemAxon
Hydrogen Donor Count14ChemAxon
Polar Surface Area413.78 Å2ChemAxon
Rotatable Bond Count27ChemAxon
Refractivity295.08 m3·mol-1ChemAxon
Polarizability111.38 Å3ChemAxon
Number of Rings5ChemAxon
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

Drug created on October 20, 2016 15:24 / Updated on June 12, 2020 10:53

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