NAV

LY-3200882

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

Identification

Generic Name
LY-3200882
DrugBank Accession Number
DB16064
Background

LY-3200882 is under investigation in clinical trial NCT04158700 (A Study of LY3200882 and Pembrolizumab in Participants With Advanced Cancer).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 435.528
Monoisotopic: 435.227039814
Chemical Formula
C24H29N5O3
Synonyms
Not Available
External IDs
  • LY-3200882
  • LY3200882
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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
19HY34R6UN
CAS number
1898283-02-7
InChI Key
PNPFMWIDAKQFPY-UHFFFAOYSA-N
InChI
InChI=1S/C24H29N5O3/c1-24(2,30)21-13-17(5-9-25-21)27-22-14-19(6-10-26-22)32-20-15-29(18-3-4-18)28-23(20)16-7-11-31-12-8-16/h5-6,9-10,13-16,18,30H,3-4,7-8,11-12H2,1-2H3,(H,25,26,27)
IUPAC Name
2-{4-[(4-{[1-cyclopropyl-3-(oxan-4-yl)-1H-pyrazol-4-yl]oxy}pyridin-2-yl)amino]pyridin-2-yl}propan-2-ol
SMILES
CC(C)(O)C1=CC(NC2=CC(OC3=CN(N=C3C3CCOCC3)C3CC3)=CC=N2)=CC=N1

References

General References
Not Available
ChemSpider
67886338

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingTreatmentSolid Tumors1
1CompletedBasic ScienceHealthy Volunteers (HV)1
1, 2Unknown StatusTreatmentMetastatic Colorectal Cancer (CRC)1
1, 2WithdrawnTreatmentAdvanced Malignant Neoplasm1

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 Solubility0.023 mg/mLALOGPS
logP4.46ALOGPS
logP2.83Chemaxon
logS-4.3ALOGPS
pKa (Strongest Acidic)13.92Chemaxon
pKa (Strongest Basic)6.33Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area94.32 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity131.74 m3·mol-1Chemaxon
Polarizability47.88 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/MSsplash10-014r-0000900000-bff82a6e9790d1641a85
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0000900000-22ebff54f49896d51448
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0002900000-857e2d1339026891e30a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0090000000-406643522b188010184f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ftu-0108900000-22879457a4d73ca62661
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03mi-0895400000-38313ddc0a70f300028f
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:03 / Updated at December 20, 2020 03:36