Details of the Drug

General Information of Drug (ID: DM0O4A2)

Drug Name
ETHYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE
Synonyms
ETHYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE; S-BENZYL PHENYLACETOTHIOHYDROXIMATE-O-SULFATE; DB04779; ethyl (1Z)-2-phenyl-N-(sulfooxy)ethanimidothioate; [(Z)-[1-(ethylsulfanyl)-2-phenylethylidene]amino]oxysulfonic acid
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 275.3
Logarithm of the Partition Coefficient (xlogp) 2.3
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C10H13NO4S2
IUPAC Name
ethyl (1Z)-2-phenyl-N-sulfooxyethanimidothioate
Canonical SMILES
CCS/C(=N\\OS(=O)(=O)O)/CC1=CC=CC=C1
InChI
InChI=1S/C10H13NO4S2/c1-2-16-10(11-15-17(12,13)14)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,13,14)/b11-10-
InChIKey
VZFUNHITNWTQFU-KHPPLWFESA-N
Cross-matching ID
PubChem CID
9600421
DrugBank ID
DB04779
TTD ID
D05RSP

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Lactase-phlorizin hydrolase (LCT) TTA0OSE LPH_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.