Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: XZ4KT6MO4X

Structure

InChI Key GWKIPRVERALPRD-ZDUSSCGKSA-N
Smile COc1ccc2c(c1)N(C(=O)OC(C)C)[C@@H](CSC)C(=S)N2
InChI
InChI=1S/C15H20N2O3S2/c1-9(2)20-15(18)17-12-7-10(19-3)5-6-11(12)16-14(21)13(17)8-22-4/h5-7,9,13H,8H2,1-4H3,(H,16,21)/t13-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H20N2O3S2
Molecular Weight 340.47
AlogP 3.53
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 50.8
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 22.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
HIV Infections 2 D015658 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL430488
DrugBank DB07885
EPA CompTox DTXSID10168701
FDA SRS XZ4KT6MO4X
PDB HBY
PubChem 3000493
SureChEMBL SCHEMBL1075704
ZINC ZINC000003870431