Evacetrapib

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
Evacetrapib
Accession Number
DB11655
Type
Small Molecule
Groups
Investigational
Description

Evacetrapib has been used in trials studying the basic science and treatment of Dyslipidemia, Hyperlipidemia, Hypercholesterolemia, Hepatic Insufficiency, and Cardiovascular Disease.

Structure
Thumb
Synonyms
Not Available
External IDs
LY2484595
Categories
UNII
51XWV9K850
CAS number
1186486-62-3
Weight
Average: 638.659
Monoisotopic: 638.280393401
Chemical Formula
C31H36F6N6O2
InChI Key
IHIUGIVXARLYHP-YBXDKENTSA-N
InChI
InChI=1S/C31H36F6N6O2/c1-18-11-19(2)27-25(12-18)26(5-4-10-42(27)16-20-6-8-22(9-7-20)28(44)45)43(29-38-40-41(3)39-29)17-21-13-23(30(32,33)34)15-24(14-21)31(35,36)37/h11-15,20,22,26H,4-10,16-17H2,1-3H3,(H,44,45)/t20-,22-,26-/m0/s1
IUPAC Name
(1r,4r)-4-{[(5S)-5-({[3,5-bis(trifluoromethyl)phenyl]methyl}(2-methyl-2H-1,2,3,4-tetrazol-5-yl)amino)-7,9-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]methyl}cyclohexane-1-carboxylic acid
SMILES
CN1N=NC(=N1)N(CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)[C@H]1CCCN(C[C@H]2CC[C@@H](CC2)C(O)=O)C2=C1C=C(C)C=C2C

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
49836058
PubChem Substance
347828026
ChemSpider
26286916
BindingDB
50381415
ChEMBL
CHEMBL2017179
Wikipedia
Evacetrapib

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceCardiovascular Disease (CVD)1
1CompletedBasic ScienceDyslipidemias1
1CompletedBasic ScienceHealthy Participants / Healthy Volunteers1
1CompletedBasic ScienceHealthy Volunteers16
1CompletedBasic ScienceHepatic Insufficiency1
2CompletedTreatmentDyslipidemias2
3TerminatedTreatmentCardiovascular Disease (CVD)1
3TerminatedTreatmentHigh Cholesterol2
3TerminatedTreatmentHyperlipidemias1

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 Solubility0.00324 mg/mLALOGPS
logP5.73ALOGPS
logP7.03ChemAxon
logS-5.3ALOGPS
pKa (Strongest Acidic)4.34ChemAxon
pKa (Strongest Basic)6.11ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area87.38 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity172.48 m3·mol-1ChemAxon
Polarizability60.62 Å3ChemAxon
Number of Rings5ChemAxon
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 benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzazepines
Sub Class
Not Available
Direct Parent
Benzazepines
Alternative Parents
Trifluoromethylbenzenes / Benzylamines / Dialkylarylamines / Aralkylamines / Azepines / Heteroaromatic compounds / Tetrazoles / Amino acids / Carboxylic acids / Azacyclic compounds
show 6 more
Substituents
Benzazepine / Trifluoromethylbenzene / Dialkylarylamine / Tertiary aliphatic/aromatic amine / Benzylamine / Azepine / Aralkylamine / Monocyclic benzene moiety / Benzenoid / Azole
show 22 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:37 / Updated on June 04, 2019 07:25