Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3096O7WP53

Structure

InChI Key YCNMAPLPQYQJFC-UHFFFAOYSA-N
Smile COc1ccc2cc(C(C)C(=O)Oc3ccc(C(N)=S)cc3)ccc2c1
InChI
InChI=1S/C21H19NO3S/c1-13(21(23)25-18-8-5-14(6-9-18)20(22)26)15-3-4-17-12-19(24-2)10-7-16(17)11-15/h3-13H,1-2H3,(H2,22,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H19NO3S
Molecular Weight 365.45
AlogP 4.19
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 61.55
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 26.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteoarthritis 2 D010003 ClinicalTrials
Chronic Pain 1 D059350 ClinicalTrials
Stomach Ulcer 1 D013276 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1226895-20-0
ChEMBL CHEMBL4211107
DrugBank DB15377
FDA SRS 3096O7WP53
SureChEMBL SCHEMBL2883303