Details of the Drug

General Information of Drug (ID: DMEY9T2)

Drug Name
2-Thioethenamine
Synonyms AC1NXIBI; (E)-2-aminoethenethiol
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) 75.14
Logarithm of the Partition Coefficient (xlogp) 0
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C2H5NS
IUPAC Name
(E)-2-aminoethenethiol
Canonical SMILES
C(=C/S)\\N
InChI
InChI=1S/C2H5NS/c3-1-2-4/h1-2,4H,3H2/b2-1+
InChIKey
JLZMZFJVTNYDOT-OWOJBTEDSA-N
Cross-matching ID
PubChem CID
5806800
CAS Number
676992-63-5
DrugBank ID
DB01968
TTD ID
D0W8FQ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial Lantibiotic mersacidin (Bact glmM) TT3DQUT GLMM_ECOLI Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.