NAV

LY-2623091

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

Identification

Generic Name
LY-2623091
DrugBank Accession Number
DB15367
Background

LY-2623091 is under investigation in clinical trial NCT02194465 (A Study of LY2623091 in Participants With High Blood Pressure).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 527.6
Monoisotopic: 527.233268009
Chemical Formula
C30H30FN5O3
Synonyms
Not Available
External IDs
  • LY2623091
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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
6FHZ595FNM
CAS number
1162264-07-4
InChI Key
YPCLDHGBEKZGEB-RUDKWAFVSA-N
InChI
InChI=1S/C30H30FN5O3/c1-19(17-35-10-12-38-13-11-35)36-27-9-6-20(15-26(27)33-30(36)34-29(32)37)14-25-23-5-3-2-4-21(23)18-39-28-16-22(31)7-8-24(25)28/h2-9,14-16,19H,10-13,17-18H2,1H3,(H3,32,33,34,37)/b25-14+/t19-/m1/s1
IUPAC Name
(5-{[(2E)-6-fluoro-9-oxatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene]methyl}-1-[(2R)-1-(morpholin-4-yl)propan-2-yl]-1H-1,3-benzodiazol-2-yl)urea
SMILES
C[C@H](CN1CCOCC1)N1C(NC(N)=O)=NC2=C1C=CC(\C=C1/C3=CC=CC=C3COC3=CC(F)=CC=C13)=C2

References

General References
Not Available
ChemSpider
29361352
BindingDB
50235935
ChEMBL
CHEMBL4088896

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentChronic Kidney Disease (CKD)1
2CompletedTreatmentHypertension, Essential Hypertension1
1CompletedBasic ScienceHealthy Volunteers (HV)2
1CompletedOtherChronic Kidney Disease (CKD)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 Solubility0.00666 mg/mLALOGPS
logP4.23ALOGPS
logP4.69Chemaxon
logS-4.9ALOGPS
pKa (Strongest Acidic)8.72Chemaxon
pKa (Strongest Basic)6.91Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area94.64 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity158.63 m3·mol-1Chemaxon
Polarizability55.4 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
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/MSsplash10-002r-0102940000-3b71c9a316d1d47579ec
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03fr-1000970000-a506cb5112aefb7deb5f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0006900000-9cd7b8c49d71a5a913cd
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-2009840000-09b78dec5ef0f3b6ba1b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fb9-2609850000-e6878cbb5be1fbb28481
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-05o3-3009320000-dda6a432bf0abb40c1fa
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:21 / Updated at June 12, 2020 16:53