VERCIRNON

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: MWI54OUA12

Structure
InChI Key JRWROCIMSDXGOZ-UHFFFAOYSA-N
Smile CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cc[n+]([O-])cc2)cc1
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H21ClN2O4S
Molecular Weight 444.94
AlogP 4.3
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 90.18
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST C-C chemokine receptor type 9 antagonist PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CC chemokine receptor
- 3-539 - 1-10 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Colitis, Ulcerative 2 D003093 ClinicalTrials
Crohn Disease 2 D003424 ClinicalTrials
Celiac Disease 2 D002446 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2178578
DrugBank DB15250
EPA CompTox DTXSID50220135
FDA SRS MWI54OUA12
Guide to Pharmacology 9046
PDB 79K
PubChem 10343454
SureChEMBL SCHEMBL342225
ZINC ZINC000038562120
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