Peficitinib

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

Identification

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Name
Peficitinib
Accession Number
DB11708
Type
Small Molecule
Groups
Investigational
Description

Peficitinib has been used in trials studying the treatment and basic science of Psoriasis, Pharmacodynamics, Drug Interactions, Colitis, Ulcerative, and RHEUMATOID ARTHRITIS, among others.

Structure
Thumb
Synonyms
Not Available
External IDs
ASP-015K / ASP015K / JNJ-54781532
Categories
UNII
HPH1166CKX
CAS number
944118-01-8
Weight
Average: 326.4
Monoisotopic: 326.174275964
Chemical Formula
C18H22N4O2
InChI Key
DREIJXJRTLTGJC-RRBRBRQDSA-N
InChI
InChI=1S/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22)/t9?,10-,11+,14-,18+
IUPAC Name
4-{[(1R,2s,3S,5r)-5-hydroxyadamantan-2-yl]amino}-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILES
NC(=O)C1=CN=C2NC=CC2=C1N[C@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2

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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
57928403
PubChem Substance
347828073
ChemSpider
58827925
Wikipedia
Janus_kinase_inhibitor

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableBioavailability of ASP015K / Food Effect of ASP015K / Healthy Volunteers / Pharmacokinetics of ASP015K1
1CompletedNot AvailableBioavailability of ASP015K / Healthy Volunteers / Pharmacokinetics of ASP015K2
1CompletedNot AvailableDrug Drug Interaction (DDI) / Healthy Volunteers / Pharmacokinetics of ASP015K2
1CompletedNot AvailableFood Effect / Healthy Volunteers / Pharmacokinetics of ASP015K1
1CompletedNot AvailableHealthy Volunteers2
1CompletedNot AvailableHealthy Volunteers / Pharmacodynamics / Pharmacokinetics of ASP015K1
1CompletedNot AvailableHealthy Volunteers / Pharmacokinetics of ASP015K4
1CompletedNot AvailableHealthy Volunteers / Pharmacokinetics of ASP015K and Midazolam1
1CompletedNot AvailableHealthy Volunteers / Pharmacokinetics of ASP015K and Tacrolimus1
1CompletedBasic ScienceHealthy Volunteers1
1CompletedBasic ScienceHealthy Volunteers / Pharmacokinetics of ASP015K2
1CompletedOtherRheumatoid Arthritis1
1CompletedTreatmentPatients With Impaired Hepatic Function1
1CompletedTreatmentPatients With Impaired Renal Function1
2CompletedTreatmentPsoriasis1
2CompletedTreatmentRheumatoid Arthritis4
2CompletedTreatmentUlcerative Colitis (UC)1
3Active Not RecruitingTreatmentRheumatoid Arthritis1
3CompletedTreatmentRheumatoid Arthritis2
3RecruitingTreatmentRheumatoid Arthritis1
Not AvailableNot Yet RecruitingNot AvailableRheumatoid Arthritis1

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 Solubility0.159 mg/mLALOGPS
logP1.62ALOGPS
logP1.06ChemAxon
logS-3.3ALOGPS
pKa (Strongest Acidic)13.85ChemAxon
pKa (Strongest Basic)5.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area104.03 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity91.34 m3·mol-1ChemAxon
Polarizability49.65 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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 pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyrrolopyridines
Sub Class
Not Available
Direct Parent
Pyrrolopyridines
Alternative Parents
Pyridinecarboxamides / Secondary alkylarylamines / Aminopyridines and derivatives / Vinylogous amides / Tertiary alcohols / Pyrroles / Heteroaromatic compounds / Primary carboxylic acid amides / Cyclic alcohols and derivatives / Amino acids and derivatives
show 4 more
Substituents
Pyridinecarboxamide / Pyridine carboxylic acid or derivatives / Pyrrolopyridine / Aminopyridine / Secondary aliphatic/aromatic amine / Pyridine / Cyclic alcohol / Pyrrole / Heteroaromatic compound / Tertiary alcohol
show 17 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:41 / Updated on June 04, 2019 07:26