This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Vercirnon
- DrugBank Accession Number
- DB15250
- Background
Vercirnon is a novel, orally active anti-inflammatory agent that targets a chemokine receptor protein implicated in both Crohn's disease and ulcerative colitis, the two principal forms of IBD. It is under investigation in clinical trial NCT01611805 (Japanese Phase I of GSK1605786).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Vercirnon (DB15250)
- Weight
- Average: 444.93
Monoisotopic: 444.091056 - Chemical Formula
- C22H21ClN2O4S
- Synonyms
- Vercirnon
- External IDs
- CCX282
- CCX282A
- GSK 1605786
- GSK1605786
Pharmacology
- Indication
Not Available
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Not Available
- Mechanism of action
Vercirnon, a small molecule, orally-available drug, is intended to control the inappropriate immune system response underlying IBD by blocking the activity of the CCR9 chemokine receptor. In adults, CCR9 is a highly specific receptor expressed by T cells that migrate selectively to the digestive tract. The trafficking of T cells to the small and large intestine causes persistent inflammation that may result in Crohn's disease or ulcerative colitis - the two principal forms of IBD.
Target Actions Organism UC-C chemokine receptor type 9 Not Available Humans - 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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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
Products
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- Traficet-EN
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- MWI54OUA12
- CAS number
- 698394-73-9
- InChI Key
- JRWROCIMSDXGOZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H21ClN2O4S/c1-22(2,3)16-4-7-18(8-5-16)30(28,29)24-20-9-6-17(23)14-19(20)21(26)15-10-12-25(27)13-11-15/h4-14,24H,1-3H3
- IUPAC Name
- 4-[2-(4-tert-butylbenzenesulfonamido)-5-chlorobenzoyl]pyridin-1-ium-1-olate
- SMILES
- CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC1=C(C=C(Cl)C=C1)C(=O)C1=CC=[N+]([O-])C=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 8518913
- BindingDB
- 50398334
- ChEMBL
- CHEMBL2178578
- ZINC
- ZINC000038562120
- PDBe Ligand
- 79K
- PDB Entries
- 5lwe
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Celiac Disease 1 2 Completed Treatment Crohn's Disease (CD) 2 2 Withdrawn Treatment Ulcerative Colitis 1 1 Completed Basic Science Crohn's Disease (CD) 1 1 Completed Other Crohn's Disease (CD) 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 Water Solubility 5.61e-05 mg/mL ALOGPS logP 4.15 ALOGPS logP 3.59 Chemaxon logS -6.9 ALOGPS pKa (Strongest Acidic) 7.3 Chemaxon pKa (Strongest Basic) 0.5 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 90.18 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 118.09 m3·mol-1 Chemaxon Polarizability 45.01 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Chemokine receptor activity
- Specific Function
- Receptor for chemokine SCYA25/TECK. Subsequently transduces a signal by increasing the intracellular calcium ions level. Alternative coreceptor with CD4 for HIV-1 infection.
- Gene Name
- CCR9
- Uniprot ID
- P51686
- Uniprot Name
- C-C chemokine receptor type 9
- Molecular Weight
- 42015.3 Da
Drug created at May 20, 2019 15:04 / Updated at February 21, 2021 18:55