Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5A0L003HEY

Structure

InChI Key QIIVJLHCZUTGSD-CUBQBAPOSA-N
Smile O=C(Nc1ncc(SCCN2CCCC2)s1)[C@]1(c2ccc(S(=O)(=O)C3CC3)cc2)C[C@H]1C1CCCCC1
InChI
InChI=1S/C28H37N3O3S3/c32-26(30-27-29-19-25(36-27)35-17-16-31-14-4-5-15-31)28(18-24(28)20-6-2-1-3-7-20)21-8-10-22(11-9-21)37(33,34)23-12-13-23/h8-11,19-20,23-24H,1-7,12-18H2,(H,29,30,32)/t24-,28-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H37N3O3S3
Molecular Weight 559.82
AlogP 5.74
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 10.0
Polar Surface Area 79.37
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 37.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 2 2 D003924 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297399
DrugBank DB12284
FDA SRS 5A0L003HEY
PubChem 46832368
SureChEMBL SCHEMBL1344892
ZINC ZINC000070471849