TRO40303
Star0
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
- Weight
- Average: 405.667
Monoisotopic: 405.360679757 - Chemical Formula
- C26H47NO2
- Synonyms
- Not Available
- External IDs
- TRO 40303
- TRO-40303
- TRO40303
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
- Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API
- 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. View sample adverse effects data in our new Data Library!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
- 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
- External Links
- ChemSpider
- 58828099
- ChEMBL
- CHEMBL4297500
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Acute 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
Property Value Source Water Solubility 0.000239 mg/mL ALOGPS logP 6.15 ALOGPS logP 6.99 Chemaxon logS -6.2 ALOGPS pKa (Strongest Acidic) 11.48 Chemaxon pKa (Strongest Basic) 2.58 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 52.82 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 121.79 m3·mol-1 Chemaxon Polarizability 52.08 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 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 splash10-0a4r-1009800000-ed48481a4da1b58afbf8 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-0000900000-0f58fff4dfba7d97d65d Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-0001900000-ddd9c15b80ce53c1bfc0 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0abc-9116100000-6fc017c61b1e33be3ef7 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0pir-0009100000-3634e9412cee90bb860f Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4l-6981000000-e1413c0e34f19fa8c1ce Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at December 15, 2020 18:02 / Updated at December 20, 2020 03:35