Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: G0835O03ZM

Structure

InChI Key PPCGSVWOZKNPCX-UHFFFAOYSA-N
Smile COc1ccc2c(c1)nc([S+]([O-])Cc1ncc(C)c(OC)c1C)n2S(=O)(=O)c1ccc(OCC(=O)O)cc1
InChI
InChI=1S/C25H25N3O8S2/c1-15-12-26-21(16(2)24(15)35-4)14-37(31)25-27-20-11-18(34-3)7-10-22(20)28(25)38(32,33)19-8-5-17(6-9-19)36-13-23(29)30/h5-12H,13-14H2,1-4H3,(H,29,30)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H25N3O8S2
Molecular Weight 559.62
AlogP 3.07
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 10.0
Polar Surface Area 146.91
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 38.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Peptic Ulcer 1 D010437 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297346
DrugBank DB13135
FDA SRS G0835O03ZM
PubChem 9829253
SureChEMBL SCHEMBL2245875