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

Identification

Generic Name
Serlopitant
DrugBank Accession Number
DB12973
Background

Serlopitant has been investigated for the treatment of Prurigo Nodularis.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 555.537
Monoisotopic: 555.200826287
Chemical Formula
C29H28F7NO2
Synonyms
  • Serlopitant
External IDs
  • MK-0594
  • VPD-737

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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
Chemical TaxonomyProvided by Classyfire
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
Alkyl fluoride / Alkyl halide / Amine / Aralkylamine / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle / Benzylether / Carbonyl group
show 24 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
277V92K32B
CAS number
860642-69-9
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

References

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

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentPrurigo Nodularis / Pruritus2
3TerminatedTreatmentAtopic Dermatitis / Prurigo Nodularis / Pruritus / Psoriasis (PsO)1
2Active Not RecruitingTreatmentEpidermolysis Bullosa (EB)1
2CompletedTreatmentAtopic Dermatitis / Pruritus1
2CompletedTreatmentEpidermolysis Bullosa (EB) / Pruritus1
2CompletedTreatmentOveractive Bladder Syndrome (OABS) / Urinary Incontinence (UI)1
2CompletedTreatmentPrurigo Nodularis1
2CompletedTreatmentPruritus1
2CompletedTreatmentPruritus Chronic1
2CompletedTreatmentPruritus / Psoriasis (PsO)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 Solubility0.00496 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

Drug created at October 21, 2016 01:44 / Updated at February 21, 2021 18:54