This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Terbogrel
- DrugBank Accession Number
- DB12204
- Background
Terbogrel has been used in trials studying the treatment of Hypertension, Pulmonary.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Terbogrel (DB12204)
- Weight
- Average: 405.502
Monoisotopic: 405.216475129 - Chemical Formula
- C23H27N5O2
- Synonyms
- Terbogrel
- Terbogrelum
- External IDs
- BIBV 308 SE
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.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 5Z4KWQ5OGN
- CAS number
- 149979-74-8
- InChI Key
- XUTLOCQNGLJNSA-RGVLZGJSSA-N
- InChI
- InChI=1S/C23H27N5O2/c1-23(2,3)28-22(26-16-24)27-19-10-6-8-17(14-19)20(11-4-5-12-21(29)30)18-9-7-13-25-15-18/h6-11,13-15H,4-5,12H2,1-3H3,(H,29,30)(H2,26,27,28)/b20-11+
- IUPAC Name
- (5E)-6-{3-[(Z)-[(tert-butylamino)(cyanoamino)methylidene]amino]phenyl}-6-(pyridin-3-yl)hex-5-enoic acid
- SMILES
- CC(C)(C)N\C(NC#N)=N\C1=CC(=CC=C1)C(=C/CCCC(O)=O)\C1=CC=CN=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 6449876
- PubChem Substance
- 347828488
- ChemSpider
- 4952549
- ChEMBL
- CHEMBL281398
- ZINC
- ZINC000011726169
- Wikipedia
- Terbogrel
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Pulmonary Hypertension (PH) 1 2 Terminated Treatment Pulmonary Hypertension (PH) 1 1 Completed Treatment Healthy Subjects (HS) 3
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 2.66 ChemAxon pKa (Strongest Acidic) 3.52 ChemAxon pKa (Strongest Basic) 6.82 ChemAxon Physiological Charge -1 ChemAxon Hydrogen Acceptor Count 7 ChemAxon Hydrogen Donor Count 3 ChemAxon Polar Surface Area 110.4 Å2 ChemAxon Rotatable Bond Count 8 ChemAxon Refractivity 128.67 m3·mol-1 ChemAxon Polarizability 44.61 Å3 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No 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 21:36 / Updated at February 21, 2021 18:53