NAV

LY-2881835

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

Identification

Generic Name
LY-2881835
DrugBank Accession Number
DB15046
Background

LY-2881835 is under investigation in clinical trial NCT01358981 (A Study of LY2881835 in Healthy People and People With Diabetes).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 491.631
Monoisotopic: 491.246043927
Chemical Formula
C33H33NO3
Synonyms
Not Available
External IDs
  • LY2881835
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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
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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
LAD0ZG7FFO
CAS number
1292290-38-0
InChI Key
FHRWHNJJQGSCQC-LJAQVGFWSA-N
InChI
InChI=1S/C33H33NO3/c1-2-5-29(22-32(35)36)27-12-14-30(15-13-27)37-24-26-10-8-25(9-11-26)23-34-20-18-33(19-21-34)17-16-28-6-3-4-7-31(28)33/h3-4,6-17,29H,18-24H2,1H3,(H,35,36)/t29-/m0/s1
IUPAC Name
(3S)-3-(4-{[4-({spiro[indene-1,4'-piperidin]-1'-yl}methyl)phenyl]methoxy}phenyl)hex-4-ynoic acid
SMILES
CC#C[C@@H](CC(O)=O)C1=CC=C(OCC2=CC=C(CN3CCC4(CC3)C=CC3=C4C=CC=C3)C=C2)C=C1

References

General References
Not Available
ChemSpider
75531281
BindingDB
50200369
ChEMBL
CHEMBL3915620

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic 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 Solubility0.000605 mg/mLALOGPS
logP5.77ALOGPS
logP3.93Chemaxon
logS-5.9ALOGPS
pKa (Strongest Acidic)3.8Chemaxon
pKa (Strongest Basic)9.27Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area49.77 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity150.31 m3·mol-1Chemaxon
Polarizability57.33 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
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/MSsplash10-001i-0000900000-db400830feaf19ee10b3
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0aos-0300900000-f1776627089ba0976e4c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-066r-1200900000-228efdeab2dd8301f458
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00m4-2010900000-edd4b5b1be199e7fa044
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0596-4930500000-ba1b133bda03c6443ff9
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-0451900000-dc0e2c8a0e361188e44d
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:44 / Updated at June 12, 2020 16:53