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
Weight
Average: 444.93
Monoisotopic: 444.091056
Chemical Formula
C22H21ClN2O4S
Synonyms
  • Vercirnon
External IDs
  • CCX282
  • CCX282A
  • GSK 1605786
  • GSK1605786

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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Contraindications & Blackbox Warnings
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Pharmacodynamics

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.

TargetActionsOrganism
UC-C chemokine receptor type 9Not AvailableHumans
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

Products

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International/Other Brands
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
ChemSpider
8518913
BindingDB
50398334
ChEMBL
CHEMBL2178578
ZINC
ZINC000038562120
PDBe Ligand
79K
PDB Entries
5lwe

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentCrohn's Disease (CD)2
2CompletedTreatmentGluten-Sensitive Enteropathy1
2WithdrawnTreatmentUlcerative Colitis1
1CompletedBasic ScienceCrohn's Disease (CD)1
1CompletedOtherCrohn's Disease (CD)1
1CompletedTreatmentCrohn's Disease (CD)2

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 Solubility5.61e-05 mg/mLALOGPS
logP4.15ALOGPS
logP3.59Chemaxon
logS-6.9ALOGPS
pKa (Strongest Acidic)7.3Chemaxon
pKa (Strongest Basic)0.5Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area90.18 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity118.09 m3·mol-1Chemaxon
Polarizability45.01 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
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