BTRX-335140
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- BTRX-335140
- DrugBank Accession Number
- DB16068
- Background
BTRX-335140 is under investigation in clinical trial NCT04221230 (Study in Major Depressive Disorder With BTRX-335140 vs Placebo).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 453.562
Monoisotopic: 453.254003453 - Chemical Formula
- C25H32FN5O2
- Synonyms
- Not Available
- External IDs
- BTRX-335140
- CYM-53093
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
- 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
- XK5ILZ28KI
- CAS number
- 2244614-14-8
- InChI Key
- CQOJHAJWCDJEAT-UHFFFAOYSA-N
- InChI
- InChI=1S/C25H32FN5O2/c1-4-17-13-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)14-17)31-9-5-18(6-10-31)28-19-7-11-32-12-8-19/h13-14,18-19,28H,4-12H2,1-3H3
- IUPAC Name
- 1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
- SMILES
- CCC1=CC(F)=C2N=C(N3CCC(CC3)NC3CCOCC3)C(C3=NC(C)=NO3)=C(C)C2=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 78316413
- Wikipedia
- BTRX-335140
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Recruiting Treatment Major Depressive Disorder (MDD) 4 2 Completed Treatment Major Depressive Disorder (MDD) 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 0.0888 mg/mL ALOGPS logP 4.09 ALOGPS logP 4.45 Chemaxon logS -3.7 ALOGPS pKa (Strongest Basic) 10.45 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 76.31 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 138.6 m3·mol-1 Chemaxon Polarizability 50.79 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No 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 splash10-0udi-0000900000-da216a40b4ee7dbab3ab Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-2000900000-01e8ad599cfc07dc8171 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-0000900000-026f1ccb67fc56323cdd Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0w30-0001900000-83cff23ffb277af38c97 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0uki-0205900000-3c6b9f5c08e0a24377ea Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001r-2222900000-0dd0e4923eb138b83b87 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 18:04 / Updated at December 20, 2020 03:36