Serlopitant

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

Identification

Logo pink
Are you a
new drug developer?
Contact us to learn more about our customized products and solutions.
Name
Serlopitant
Accession Number
DB12973
Type
Small Molecule
Groups
Investigational
Description

Serlopitant has been investigated for the treatment of Prurigo Nodularis.

Structure
Thumb
Synonyms
Not Available
External IDs
MK-0594 / VPD-737
Categories
UNII
277V92K32B
CAS number
860642-69-9
Weight
Average: 555.537
Monoisotopic: 555.200826287
Chemical Formula
C29H28F7NO2
InChI Key
FLNYCRJBCNNHRH-OIYLJQICSA-N
InChI
InChI=1S/C29H28F7NO2/c1-16(19-10-20(28(31,32)33)12-21(11-19)29(34,35)36)39-26-9-4-18-14-37(23-7-8-24(38)13-23)15-25(18)27(26)17-2-5-22(30)6-3-17/h2-3,5-6,10-13,16,18,25-27H,4,7-9,14-15H2,1H3/t16-,18-,25-,26+,27+/m1/s1
IUPAC Name
3-[(3aR,4R,5S,7aS)-5-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-octahydro-1H-isoindol-2-yl]cyclopent-2-en-1-one
SMILES
C[C@@H](O[C@H]1CC[C@@H]2CN(C[C@H]2[C@@H]1C1=CC=C(F)C=C1)C1=CC(=O)CC1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

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
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

References

General References
Not Available
External Links
PubChem Compound
23653789
PubChem Substance
347829113
ChemSpider
24686685
BindingDB
50277511
ChEMBL
CHEMBL447955
Wikipedia
Serlopitant

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAtopic Dermatitis (AD) / Pruritus1
2CompletedTreatmentChronic Pruritus1
2CompletedTreatmentEpidermolysis Bullosa / Pruritus1
2CompletedTreatmentPrurigo Nodularis1
2CompletedTreatmentPruritus / Psoriasis1
2CompletedTreatmentRefractory Chronic Cough1
2RecruitingTreatmentEpidermolysis Bullosa1
2RecruitingTreatmentPruritus1
2TerminatedTreatmentMinor burns / Pruritus1
3RecruitingTreatmentAtopic Dermatitis (AD) / Prurigo Nodularis / Pruritus / Psoriasis1
3RecruitingTreatmentPrurigo Nodularis / Pruritus2

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 Solubility0.00496 mg/mLALOGPS
logP5.29ALOGPS
logP6.75ChemAxon
logS-5ALOGPS
pKa (Strongest Acidic)17.12ChemAxon
pKa (Strongest Basic)2.07ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area29.54 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity134.58 m3·mol-1ChemAxon
Polarizability51.54 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
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 trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Trifluoromethylbenzenes
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
Benzylethers / Isoindoles / Isoindolines / Aralkylamines / Fluorobenzenes / Aryl fluorides / Pyrrolidines / Vinylogous amides / Trialkylamines / Cyclic ketones
show 7 more
Substituents
Trifluoromethylbenzene / Benzylether / Isoindoline / Isoindole / Isoindole or derivatives / Fluorobenzene / Halobenzene / Aralkylamine / Aryl fluoride / Aryl halide
show 24 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 19:44 / Updated on September 02, 2019 19:50