Ropsacitinib
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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
- 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
Pharmacology
- Indication
Not Available
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- ChemSpider
- 84492190
- BindingDB
- 305821
- ChEMBL
- CHEMBL4459585
- PDBe Ligand
- UWM
- PDB Entries
- 6x8g
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Acne Inversa 1 2 Completed Treatment Psoriasis 1 2 Withdrawn Treatment Ulcerative Colitis 1 1 Completed Other Healthy Volunteers (HV) 2 1 Completed Treatment Psoriasis 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
Property Value Source logP 1.09 Chemaxon pKa (Strongest Basic) 2.02 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 113.41 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 137.84 m3·mol-1 Chemaxon Polarizability 40.69 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - 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