BP-14979
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- BP-14979
- DrugBank Accession Number
- DB16302
- Background
BP-14979 is under investigation in clinical trial NCT01785147 (Efficacy and Safety of BP1.4979 in Smoking Cessation).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 398.551
Monoisotopic: 398.268176351 - Chemical Formula
- C23H34N4O2
- Synonyms
- Not Available
- External IDs
- BP-14979
- BP1.4979
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
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- XN7HA74WB0
- CAS number
- 1000036-77-0
- InChI Key
- PLMAPPWZOQMTBI-XUTJKUGGSA-N
- InChI
- InChI=1S/C23H34N4O2/c1-29-16-10-23(28)25-21-7-5-19(6-8-21)9-11-26-12-14-27(15-13-26)22-4-2-3-20(17-22)18-24/h2-4,17,19,21H,5-16H2,1H3,(H,25,28)/t19-,21-
- IUPAC Name
- 3-methoxy-N-[(1r,4r)-4-{2-[4-(3-cyanophenyl)piperazin-1-yl]ethyl}cyclohexyl]propanamide
- SMILES
- COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)C2=CC=CC(=C2)C#N)CC1
References
- General References
- Not Available
- External Links
- ChemSpider
- 81368508
- ChEMBL
- CHEMBL4297484
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data2 Completed Treatment Tobacco Addiction 1 somestatus stop reason just information to hide 2 Recruiting Treatment Binge Eating Disorder (BED) 1 somestatus stop reason just information to hide 2 Terminated Treatment Restless Legs Syndrome (RLS) 1 somestatus stop reason just information to hide
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 0.0577 mg/mL ALOGPS logP 3.55 ALOGPS logP 2.65 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 15.99 Chemaxon pKa (Strongest Basic) 8.63 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 68.6 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 116.6 m3·mol-1 Chemaxon Polarizability 47.7 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes 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 splash10-0002-0009000000-f0e5d11db5145ec2915e Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-0009000000-3248f2e4312a3549b446 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-01ot-0029000000-70a0c4997928dca16e91 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-01p2-1019000000-20f23ac40de9f4c7a898 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-0394000000-4ea1750633d85763730b Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-06r2-1119000000-f9159e65714353ffd4d1 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 18:18 / Updated at December 20, 2020 03:41