Otenabant
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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
- Otenabant
- DrugBank Accession Number
- DB11745
- Background
Otenabant has been investigated for the treatment of Obesity.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- 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
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- 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 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
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Otenabant hydrochloride X2166Z319O 686347-12-6 KPYUQCJBZGQHPL-UHFFFAOYSA-N
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- 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
- General References
- 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]
- 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]
- 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]
- External Links
- PubChem Compound
- 10052040
- PubChem Substance
- 347828103
- ChemSpider
- 8227602
- BindingDB
- 27337
- ChEMBL
- CHEMBL562668
- ZINC
- ZINC000003948997
- Wikipedia
- Otenabant
Clinical Trials
- Clinical Trials
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 Volunteers (HV) 1 1 Completed Treatment Hepatic Insufficiency / Obesity 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 0.0107 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 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 205.45854 predictedDeepCCS 1.0 (2019) [M+H]+ 207.85411 predictedDeepCCS 1.0 (2019) [M+Na]+ 213.76662 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsCannabinoid 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
- Molecular Weight
- 52857.365 Da
Drug created at October 20, 2016 20:44 / Updated at February 21, 2021 18:53