Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3A3N0634Q6

Structure

InChI Key XMSXOLDPMGMWTH-UHFFFAOYSA-N
Smile COc1ccc2nc(COc3ccc(CC4SC(=O)NC4=O)cc3)n(C)c2c1
InChI
InChI=1S/C20H19N3O4S/c1-23-16-10-14(26-2)7-8-15(16)21-18(23)11-27-13-5-3-12(4-6-13)9-17-19(24)22-20(25)28-17/h3-8,10,17H,9,11H2,1-2H3,(H,22,24,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H19N3O4S
Molecular Weight 397.46
AlogP 3.06
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 82.45
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Peroxisome proliferator-activated receptor gamma agonist Wikipedia PubMed PubMed Other

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 2 3 D003924 ClinicalTrials
Dry Eye Syndromes 2 D015352 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 185428-18-6
ChEMBL CHEMBL2104753
DrugBank DB09200
FDA SRS 3A3N0634Q6
PDB 7VA
PubChem 3055168
SureChEMBL SCHEMBL143498