Terbogrel

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
Terbogrel
Accession Number
DB12204
Type
Small Molecule
Groups
Investigational
Description

Terbogrel has been used in trials studying the treatment of Hypertension, Pulmonary.

Structure
Thumb
Synonyms
Not Available
Categories
Not Available
UNII
5Z4KWQ5OGN
CAS number
149979-74-8
Weight
Average: 405.502
Monoisotopic: 405.216475129
Chemical Formula
C23H27N5O2
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

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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
6449876
PubChem Substance
347828488
ChemSpider
4952549
ChEMBL
CHEMBL281398
Wikipedia
Terbogrel

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentHealthy Volunteers1
2CompletedTreatmentPulmonary Hypertension (PH)1
2TerminatedTreatmentPulmonary Hypertension (PH)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
PropertyValueSource
Water Solubility0.00754 mg/mLALOGPS
logP3.52ALOGPS
logP2.66ChemAxon
logS-4.7ALOGPS
pKa (Strongest Acidic)3.52ChemAxon
pKa (Strongest Basic)6.82ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area110.4 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity128.67 m3·mol-1ChemAxon
Polarizability44.18 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
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

Classification
Not classified

Drug created on October 20, 2016 15:36 / Updated on June 04, 2019 07:33