NAV

TRC150094

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

Identification

Generic Name
TRC150094
DrugBank Accession Number
DB16046
Background

TRC150094 is under investigation in clinical trial NCT03254446 (Safety and Efficacy Study of TRC150094 to Improve the CV Risk in Subjects With Diabetes, Dyslipidemia and Hypertension).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 328.412
Monoisotopic: 328.178692641
Chemical Formula
C19H24N2O3
Synonyms
Not Available
External IDs
  • TRC 150094
  • TRC-150094
  • TRC150094
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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
B93608MTGW
CAS number
1092551-88-6
InChI Key
OFUOCIUIWKDKPA-UHFFFAOYSA-N
InChI
InChI=1S/C19H24N2O3/c1-11-9-14(15-5-4-6-16(15)19(11)24)10-17-12(2)20-21(13(17)3)8-7-18(22)23/h9,24H,4-8,10H2,1-3H3,(H,22,23)
IUPAC Name
3-{4-[(7-hydroxy-6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}propanoic acid
SMILES
CC1=NN(CCC(O)=O)C(C)=C1CC1=CC(C)=C(O)C2=C1CCC2

References

General References
Not Available
ChemSpider
28534873
ChEMBL
CHEMBL4297445
ZINC
ZINC000068247259

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Unknown StatusTreatmentDiabetes / Dyslipidemia / Hypertension1
1, 2CompletedTreatmentMetabolic Cardiovascular Syndrome1

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 Solubility0.0266 mg/mLALOGPS
logP3.03ALOGPS
logP3.28Chemaxon
logS-4.1ALOGPS
pKa (Strongest Acidic)4.38Chemaxon
pKa (Strongest Basic)3.49Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area75.35 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity105.13 m3·mol-1Chemaxon
Polarizability36.9 Å3Chemaxon
Number of Rings3Chemaxon
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/MSsplash10-004i-0009000000-f301cf189fb4d15474e3
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-1009000000-f667931d9bfd65658ef8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00pr-0595000000-66f3a8fe0a33e5d159e7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-1294000000-a4490a8e95e683c573b5
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-004u-0391000000-c46c4b855325cee157b3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0940000000-01663dcf5740cd08934a
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-192.8171433
predicted
DarkChem Lite v0.1.0
[M+H]+193.0266433
predicted
DarkChem Lite v0.1.0

Drug created at December 15, 2020 18:03 / Updated at December 20, 2020 03:35