NAV

BP-14979

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

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
Similar Structures
Weight
Average: 398.551
Monoisotopic: 398.268176351
Chemical Formula
C23H34N4O2
Synonyms
Not Available
External IDs
  • BP-14979
  • BP1.4979
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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
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
ChemSpider
81368508
ChEMBL
CHEMBL4297484

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentTobacco Addiction1
2RecruitingTreatmentBinge Eating Disorder (BED)1
2TerminatedTreatmentRestless Legs Syndrome (RLS)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 Solubility0.0577 mg/mLALOGPS
logP3.55ALOGPS
logP2.65Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)15.99Chemaxon
pKa (Strongest Basic)8.63Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area68.6 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity116.6 m3·mol-1Chemaxon
Polarizability47.7 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
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/MSsplash10-0002-0009000000-f0e5d11db5145ec2915e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0009000000-3248f2e4312a3549b446
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01ot-0029000000-70a0c4997928dca16e91
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01p2-1019000000-20f23ac40de9f4c7a898
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0394000000-4ea1750633d85763730b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-06r2-1119000000-f9159e65714353ffd4d1
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 18:18 / Updated at December 20, 2020 03:41