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]
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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.