This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Bradykinin
- DrugBank Accession Number
- DB12126
- Background
Bradykinin has been investigated for the basic science and treatment of Hypertension and Diabetes Type 2.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Bradykinin (DB12126)
- 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
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 softwareIsosorbide mononitrate Bradykinin may increase the vasodilatory activities of Isosorbide mononitrate. Patent Blue The therapeutic efficacy of Bradykinin can be decreased when used in combination with Patent Blue. 
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 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)
- Affected organisms
- Not Available
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[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
References
- General References
- Not Available
- External Links
- 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
Phase Status Purpose Conditions Count 4 Active Not Recruiting Basic Science Hypertension 1 2 Terminated Diagnostic Hyperlipidemias 1 2 Unknown Status Treatment Angioedema 1 1 Completed Treatment Healthy Subjects (HS) 1 1 Terminated Diagnostic Coronary Artery Disease (CAD) 1 1 Unknown Status Educational/Counseling/Training Healthy Subjects (HS) 1 0 Completed Basic Science Endothelial Dysfunction / Obesity / Vasodilation / Venous Occlusion Plethysmography 1 Not Available Completed Basic Science Healthy Subjects (HS) 1 Not Available Completed Basic Science Ischemic Heart Disease 2 Not Available Completed Health Services Research Obesity 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 logP -6.4 Chemaxon pKa (Strongest Acidic) 3.39 Chemaxon pKa (Strongest Basic) 12.44 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 18 Chemaxon Hydrogen Donor Count 14 Chemaxon Polar Surface Area 413.78 Å2 Chemaxon Rotatable Bond Count 27 Chemaxon Refractivity 295.08 m3·mol-1 Chemaxon Polarizability 111.38 Å3 Chemaxon Number of Rings 5 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 21:24 / Updated at June 12, 2020 16:53