NAV

Otenabant

This drug entry is astuband has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Otenabant
DrugBank Accession Number
DB11745
Background

Otenabant has been investigated for the treatment of Obesity.

Type
Small Molecule
Groups
Investigational
Structure
 3D
Similar Structures
Weight
Average: 510.42
Monoisotopic: 509.1497639
Chemical Formula
C25H25Cl2N7O
Synonyms
  • Otenabant
External IDs
  • CP-945,598
  • CP-945598
  • CP-945598-01

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug events
Improve clinical decision support with information oncontraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events & improve clinical decision support.
Learn more
Pharmacodynamics

Not Available

Mechanism of action

Pre-clinical and clinical trial data suggest that CB-1 antagonists may have favorable effects on glucose metabolism in patients with type 2 diabetes and may also be an effective therapy for the treatment of obesity.

Target Actions Organism
UCannabinoid receptor 1 Not Available Humans
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 outcomes
With structured adverse effects data, including:blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
Learn more
Improve decision support & research outcomes with our structured adverse effects data.
Learn more
Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRsBrowse all" title="" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug InteractionsLearn More" title="" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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

Products

Drug product information from 10+ global regions
Our datasets provide approved product information including:
dosage, form, labeller, route of administration, and marketing period.
Access now
Access drug product information from over 10 global regions.
Access now
Product Ingredients
Ingredient UNII CAS InChI Key
Otenabant hydrochloride X2166Z319O 686347-12-6 KPYUQCJBZGQHPL-UHFFFAOYSA-N

Categories

Drug Categories
Chemical TaxonomyProvided byClassyfire
Description
This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Alpha amino acid amides
Alternative Parents
Phenylimidazoles/6-alkylaminopurines/Piperidinecarboxamides/Dialkylarylamines/Aminopiperidines/Aminopyrimidines and derivatives/Chlorobenzenes/N-substituted imidazoles/Imidolactams/Aryl chlorides
show 8 more
Substituents
1-phenylimidazole/2-phenylimidazole/4-aminopiperidine/6-alkylaminopurine/6-aminopurine/Alpha-amino acid amide/Amine/Aminopyrimidine/Aromatic heteropolycyclic compound/Aryl chloride
show 31 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
J8211Y53EF
CAS number
686344-29-6
InChI Key
UNAZAADNBYXMIV-UHFFFAOYSA-N
InChI
InChI=1S/C25H25Cl2N7O/c1-2-31-25(24(28)35)11-13-33(14-12-25)22-20-23(30-15-29-22)34(17-9-7-16(26)8-10-17)21(32-20)18-5-3-4-6-19(18)27/h3-10,15,31H,2,11-14H2,1H3,(H2,28,35)
IUPAC Name
1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)piperidine-4-carboxamide
SMILES
CCNC1(CCN(CC1)C1=C2N=C(N(C2=NC=N1)C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl)C(N)=O

References

一般References
  1. Heimann AS, Gomes I, Dale CS, Pagano RL, Gupta A, de Souza LL, Luchessi AD, Castro LM, Giorgi R, Rioli V, Ferro ES, Devi LA: Hemopressin is an inverse agonist of CB1 cannabinoid receptors. Proc Natl Acad Sci U S A. 2007 Dec 18;104(51):20588-93. Epub 2007 Dec 12. [Article]
  2. Buchweitz JP, Karmaus PW, Williams KJ, Harkema JR, Kaminski NE: Targeted deletion of cannabinoid receptors CB1 and CB2 produced enhanced inflammatory responses to influenza A/PR/8/34 in the absence and presence of Delta9-tetrahydrocannabinol. J Leukoc Biol. 2008 Mar;83(3):785-96. Epub 2007 Dec 11. [Article]
  3. Gerdeman GL, Schechter JB, French ED: Context-specific reversal of cocaine sensitization by the CB1 cannabinoid receptor antagonist rimonabant. Neuropsychopharmacology. 2008 Oct;33(11):2747-59. Epub 2007 Dec 5. [Article]
PubChem Compound
10052040
PubChem Substance
347828103
ChemSpider
8227602
BindingDB
27337
ChEMBL
CHEMBL562668
ZINC
ZINC000003948997
Wikipedia
Otenabant

Clinical Trials

Clinical TrialsLearn More" title="" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count
3 Terminated Treatment Obesity 4
2, 3 Completed Treatment Obesity 1
1 Completed Basic Science Non Alcoholic Steatohepatitis (NASH) 1
1 Completed Diagnostic Healthy Subjects (HS) 1
1 Completed Treatment Hepatic Insufficiency/Obesity 1
1 Completed Treatment Obesity 4

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 0.0107 mg/mL ALOGPS
logP 3.66 ALOGPS
logP 4.42 Chemaxon
logS -4.7 ALOGPS
pKa (Strongest Acidic) 15.89 Chemaxon
pKa (Strongest Basic) 8.97 Chemaxon
Physiological Charge 1 Chemaxon
Hydrogen Acceptor Count 6 Chemaxon
Hydrogen Donor Count 2 Chemaxon
Polar Surface Area 101.96 Å2 Chemaxon
Rotatable Bond Count 6 Chemaxon
Refractivity 158.88 m3·mol-1 Chemaxon
Polarizability 53.2 Å3 Chemaxon
Number of Rings 5 Chemaxon
生物利用度 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 Not Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available
预测MS / MS谱- 10 v, Negative (Annotated) Predicted LC-MS/MS Not Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available

Targets

Build, predict & validate machine-learning models
Use our structured and evidence-based datasets tounlock new
insights and accelerate drug research.
Learn more
Use our structured and evidence-based datasets to unlock new insights and accelerate drug research.
Learn more
Details 1.Cannabinoid receptor 1
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Drug binding
Specific Function
Involved in cannabinoid-induced CNS effects. Acts by inhibiting adenylate cyclase. Could be a receptor for anandamide. Inhibits L-type Ca(2+) channel current. Isoform 2 and isoform 3 have altered l...
Gene Name
CNR1
Uniprot ID
P21554
Uniprot Name
Cannabinoid receptor 1
分子量
52857.365 Da

Drug created at October 20, 2016 20:44 / Updated at February 21, 2021 18:53