Adomeglivant
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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
- Adomeglivant
- DrugBank Accession Number
- DB11704
- Background
Adomeglivant has been investigated for the basic science of Type 2 Diabetes.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 555.638
Monoisotopic: 555.259643132 - Chemical Formula
- C32H36F3NO4
- Synonyms
- Adomeglivant
- External IDs
- LY-2409021
- LY2409021
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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Biphenyls and derivatives
- Direct Parent
- Biphenyls and derivatives
- Alternative Parents
- Beta amino acids and derivatives / Benzamides / Phenylpropanes / m-Xylenes / Benzoyl derivatives / Phenol ethers / Phenoxy compounds / Alkyl aryl ethers / Secondary carboxylic acid amides / Monocarboxylic acids and derivatives show 7 more
- Substituents
- Alkyl aryl ether / Alkyl fluoride / Alkyl halide / Aromatic homomonocyclic compound / Benzamide / Benzoic acid or derivatives / Benzoyl / Beta amino acid or derivatives / Biphenyl / Carbonyl group show 19 more
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 74Z5ZL2KVG
- CAS number
- 1488363-78-5
- InChI Key
- FASLTMSUPQDLIB-MHZLTWQESA-N
- InChI
- InChI=1S/C32H36F3NO4/c1-20-18-26(19-21(2)29(20)23-10-12-25(13-11-23)31(3,4)5)40-27(14-16-32(33,34)35)22-6-8-24(9-7-22)30(39)36-17-15-28(37)38/h6-13,18-19,27H,14-17H2,1-5H3,(H,36,39)(H,37,38)/t27-/m0/s1
- IUPAC Name
- 3-({4-[(1S)-1-({4'-tert-butyl-2,6-dimethyl-[1,1'-biphenyl]-4-yl}oxy)-4,4,4-trifluorobutyl]phenyl}formamido)propanoic acid
- SMILES
- CC1=CC(O[C@@H](CCC(F)(F)F)C2=CC=C(C=C2)C(=O)NCCC(O)=O)=CC(C)=C1C1=CC=C(C=C1)C(C)(C)C
References
- General References
- Not Available
- External Links
- PubChem Compound
- 91933867
- PubChem Substance
- 347828069
- ChemSpider
- 35293687
- ChEMBL
- CHEMBL3707351
- ZINC
- ZINC000117040414
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Basic Science Type 2 Diabetes Mellitus 1 2 Completed Treatment Type 2 Diabetes Mellitus 2 2 Terminated Basic Science Type 2 Diabetes Mellitus 1 1 Completed Basic Science Healthy Volunteers (HV) 4 1 Completed Basic Science Renal Failure, Chronic Renal Failure / Renal Insufficiency,Chronic 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 6.76e-05 mg/mL ALOGPS logP 6.28 ALOGPS logP 8.12 Chemaxon logS -6.9 ALOGPS pKa (Strongest Acidic) 3.89 Chemaxon pKa (Strongest Basic) -0.85 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 75.63 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 150.1 m3·mol-1 Chemaxon Polarizability 59.13 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 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]- 236.37726 predictedDeepCCS 1.0 (2019) [M+H]+ 238.27266 predictedDeepCCS 1.0 (2019) [M+Na]+ 244.09764 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 20:41 / Updated at February 21, 2021 18:53