NAV

Peficitinib

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

Identification

Generic Name
Peficitinib
DrugBank Accession Number
DB11708
Background

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

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 326.4
Monoisotopic: 326.174275964
Chemical Formula
C18H22N4O2
Synonyms
  • Peficitinib
External IDs
  • ASP-015K
  • ASP015K
  • JNJ-54781532
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
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AbataceptThe risk or severity of adverse effects can be increased when Abatacept is combined with Peficitinib.
AdalimumabThe risk or severity of adverse effects can be increased when Adalimumab is combined with Peficitinib.
Adenovirus type 7 vaccine liveThe risk or severity of infection can be increased when Adenovirus type 7 vaccine live is combined with Peficitinib.
AldesleukinThe risk or severity of adverse effects can be increased when Aldesleukin is combined with Peficitinib.
AlefaceptThe risk or severity of adverse effects can be increased when Alefacept is combined with Peficitinib.
Food Interactions
Not Available

Categories

ATC Codes
L04AA49 — Peficitinib
Drug Categories
Chemical TaxonomyProvided by Classyfire
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
Alcohol / Amine / Amino acid or derivatives / Aminopyridine / Aromatic heteropolycyclic compound / Azacycle / Carboxamide group / Carboxylic acid derivative / Cyclic alcohol / Heteroaromatic compound
show 17 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
HPH1166CKX
CAS number
944118-01-8
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

References

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

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3CompletedTreatmentRheumatoid Arthritis4
2CompletedTreatmentPsoriasis1
2CompletedTreatmentRheumatoid Arthritis4
2CompletedTreatmentUlcerative Colitis1
1CompletedNot AvailableBioavailability of ASP015K / Food Effect of ASP015K / Healthy Subjects (HS) / Pharmacokinetics of ASP015K1

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-MSsplash10-0a6s-0569000000-d39634d6835318ec9fcb
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-01t9-0009000000-e36cf4c9fabd368d4a91
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-056r-0009000000-f28c8d552ed1f7c94d68
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-052f-0069000000-f9ff09521ccc21a03215
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-1039000000-3d1cd0d0c81c66687a0f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-08fu-0962000000-f8db63726bb3f0e94fdf
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-06r6-0191000000-c0834f72dc07a9cdd49d
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-173.62923
predicted
DeepCCS 1.0 (2019)
[M+H]+176.0248
predicted
DeepCCS 1.0 (2019)
[M+Na]+182.1292
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:41 / Updated at February 21, 2021 18:53