NAV

TRO40303

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

Identification

Generic Name
TRO40303
DrugBank Accession Number
DB16031
Background

TRO40303 is under investigation in clinical trial NCT01374321 (Safety and Efficacy Study of TRO40303 for Reduction of Reperfusion Injury in Patients Undergoing Percutaneous Coronary Intervention for Acute Myocardial Infarction).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 405.667
Monoisotopic: 405.360679757
Chemical Formula
C26H47NO2
Synonyms
Not Available
External IDs
  • TRO 40303
  • TRO-40303
  • TRO40303
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Pharmacology

Indication

Not Available

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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
3W389841RN
CAS number
14291-24-8
InChI Key
OBKBVSFXEIFOMS-YVABUZGXSA-N
InChI
InChI=1S/C26H47NO2/c1-18(2)8-6-9-19(3)21-11-12-22-20-10-13-24(27-29)26(5,15-7-17-28)23(20)14-16-25(21,22)4/h18-23,28-29H,6-17H2,1-5H3/b27-24+/t19-,20+,21-,22+,23+,25-,26-/m1/s1
IUPAC Name
3-[(3R,3aR,5aS,6R,7E,9aS,9bS)-7-(hydroxyimino)-3a,6-dimethyl-3-[(2R)-6-methylheptan-2-yl]-dodecahydro-1H-cyclopenta[a]naphthalen-6-yl]propan-1-ol
SMILES
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC\C(=N/O)[C@](C)(CCCO)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C

References

General References
Not Available
ChemSpider
58828099
ChEMBL
CHEMBL4297500

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAcute Myocardial Infarction (AMI)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 Solubility0.000239 mg/mLALOGPS
logP6.15ALOGPS
logP6.99Chemaxon
logS-6.2ALOGPS
pKa (Strongest Acidic)11.48Chemaxon
pKa (Strongest Basic)2.58Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area52.82 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity121.79 m3·mol-1Chemaxon
Polarizability52.08 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
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/MSsplash10-0a4r-1009800000-ed48481a4da1b58afbf8
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0000900000-0f58fff4dfba7d97d65d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0001900000-ddd9c15b80ce53c1bfc0
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0abc-9116100000-6fc017c61b1e33be3ef7
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0pir-0009100000-3634e9412cee90bb860f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4l-6981000000-e1413c0e34f19fa8c1ce
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:02 / Updated at December 20, 2020 03:35