NAV

Ropsacitinib

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

Identification

Generic Name
Ropsacitinib
DrugBank Accession Number
DB18709
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 383.419
Monoisotopic: 383.160691583
Chemical Formula
C20H17N9
Synonyms
  • Cyclobutaneacetonitrile, 3-cyano-1-(4-(6-(1-methyl-1h-pyrazol-4- yl)pyrazolo(1,5-a)pyrazin-4-yl)-1h-pyrazol-1-yl)-, trans-
  • Ropsacitinib
  • Trans-3-cyano-1-(4-(6-(1-methyl-1h-pyrazol-4-yl)pyrazolo(1,5-a)pyrazin-4-yl)- 1h-pyrazol-1-yl)-cyclobutaneacetonitrile
External IDs
  • PF-06826647
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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
HY5SOV7O0Q
CAS number
2127109-84-4
InChI Key
XPLZTJWZDBFWDE-OYOVHJISSA-N
InChI
InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20+
IUPAC Name
(1r,3r)-3-(cyanomethyl)-3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}cyclobutane-1-carbonitrile
SMILES
CN1C=C(C=N1)C1=CN2N=CC=C2C(=N1)C1=CN(N=C1)[C@@]1(CC#N)C[C@@H](C1)C#N

References

General References
Not Available
ChemSpider
84492190
BindingDB
305821
ChEMBL
CHEMBL4459585
PDBe Ligand
UWM
PDB Entries
6x8g

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAcne Inversa1
2CompletedTreatmentPsoriasis1
2WithdrawnTreatmentUlcerative Colitis1
1CompletedOtherHealthy Volunteers (HV)2
1CompletedTreatmentPsoriasis Vulgaris (Plaque Psoriasis)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
logP1.09Chemaxon
pKa (Strongest Basic)2.02Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area113.41 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity137.84 m3·mol-1Chemaxon
Polarizability40.69 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 11, 2023 16:44 / Updated at December 12, 2023 05:06