Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1WBO45T413

Structure

InChI Key FBQUXLIJKPWCAO-AZIFJQEOSA-N
Smile COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCSCCCC(=O)OC)c1
InChI
InChI=1S/C24H34O6S/c1-29-16-18-6-3-5-17(13-18)14-19(25)8-9-20-21(23(27)15-22(20)26)10-12-31-11-4-7-24(28)30-2/h3,5-6,8-9,13,19-22,25-26H,4,7,10-12,14-16H2,1-2H3/b9-8+/t19-,20-,21-,22-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H34O6S
Molecular Weight 450.6
AlogP 2.94
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 13.0
Polar Surface Area 93.06
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Prostanoid EP4 receptor agonist PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Colitis, Ulcerative 2 D003093 ClinicalTrials

Cross References

Resources Reference
ChEBI 168543
ChEMBL CHEMBL303960
DrugBank DB16315
FDA SRS 1WBO45T413
Guide to Pharmacology 1930
PubChem 9803828
SureChEMBL SCHEMBL2309978
ZINC ZINC000003940680