NAV

Evacetrapib

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

Identification

Generic Name
Evacetrapib
DrugBank Accession Number
DB11655
Background

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

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 638.659
Monoisotopic: 638.280393401
Chemical Formula
C31H36F6N6O2
Synonyms
  • Evacetrapib
External IDs
  • LY2484595
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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Toxicity

Not Available

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

Interactions

Drug Interactions Learn More" title="About Drug Interactions" 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

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
Alkyl fluoride / Alkyl halide / Amine / Amino acid / Amino acid or derivatives / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Azepine / Azole
show 22 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
51XWV9K850
CAS number
1186486-62-3
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

References

General References
Not Available
PubChem Compound
49836058
PubChem Substance
347828026
ChemSpider
26286916
BindingDB
50381415
ChEMBL
CHEMBL2017179
Wikipedia
Evacetrapib

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3TerminatedTreatmentCardiovascular Disease (CVD)1
3TerminatedTreatmentHigh Cholesterol2
3TerminatedTreatmentHyperlipidemias1
2CompletedTreatmentDyslipidemia2
1CompletedBasic ScienceCardiovascular Disease (CVD)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
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/MSsplash10-000i-0010019000-75bfdf64032f0122c04b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kr-0003109000-fd14be8337165a187be9
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00kv-4200029000-b690802a7ba0fc722ac6
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-05n0-3422194000-eea823eaf3b2d3962fa3
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-029g-9104001000-f51a41a5e47b77a0380b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-1022491000-76804732cb9c41c86073
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-229.63828
predicted
DeepCCS 1.0 (2019)
[M+H]+231.46318
predicted
DeepCCS 1.0 (2019)
[M+Na]+237.11354
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:37 / Updated at February 21, 2021 18:53