Adomeglivant

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

Identification

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Name
Adomeglivant
Accession Number
DB11704
Type
Small Molecule
Groups
Investigational
Description

Adomeglivant has been investigated for the basic science of Type 2 Diabetes.

Structure
Thumb
Synonyms
Not Available
External IDs
LY-2409021 / LY2409021
Categories
UNII
74Z5ZL2KVG
CAS number
1488363-78-5
Weight
Average: 555.638
Monoisotopic: 555.259643132
Chemical Formula
C32H36F3NO4
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
91933867
PubChem Substance
347828069
ChemSpider
35293687
ChEMBL
CHEMBL3707351

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceChronic Renal Failure (CRF) / Renal Insufficiency,Chronic1
1CompletedBasic ScienceHealthy Participants / Healthy Volunteers1
1CompletedBasic ScienceHealthy Volunteers2
1CompletedBasic ScienceType 2 Diabetes Mellitus4
1CompletedTreatmentType 1 Insulin-Dependent Diabetes Mellitus1
1TerminatedBasic ScienceHealthy Volunteers1
2CompletedBasic ScienceType 2 Diabetes Mellitus1
2CompletedTreatmentType 2 Diabetes Mellitus2
2TerminatedBasic ScienceType 2 Diabetes Mellitus1
Not AvailableCompletedBasic ScienceType 2 Diabetes Mellitus1

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 Solubility6.76e-05 mg/mLALOGPS
logP6.28ALOGPS
logP8.12ChemAxon
logS-6.9ALOGPS
pKa (Strongest Acidic)3.89ChemAxon
pKa (Strongest Basic)-0.85ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area75.63 Å2ChemAxon
Rotatable Bond Count12ChemAxon
Refractivity150.1 m3·mol-1ChemAxon
Polarizability59.13 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
Biphenyl / Beta amino acid or derivatives / Benzamide / Benzoic acid or derivatives / Phenylpropane / Phenoxy compound / M-xylene / Xylene / Benzoyl / Phenol ether
show 19 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:41 / Updated on June 04, 2019 07:26