Details of the Drug

General Information of Drug (ID: DMVAQOZ)

Drug Name
2-Pyridinethiol
Synonyms
2-Mercaptopyridine; Pyridine-2-thiol; 2-Pyridinethiol; 2637-34-5; 2-Thiopyridine; Pyrid-2-thione; 2(1H)-PYRIDINETHIONE; Pyridinethione; 1H-pyridine-2-thione; 73018-10-7; 2-pyridylthiol; 2-Thiopyridone; 2-Pyridinethione; 2-Mercapto pyridine; 2-Pyridyl mercaptan; 1,2-dihydropyridine-2-thione; Thiopyridone-2 [French]; 2-pyridinylthiol; Alrithiol-2; NSC 41337; UNII-EE982KT952; CHEBI:45223; EINECS 220-131-9; WHMDPDGBKYUEMW-UHFFFAOYSA-N; EE982KT952; 29468-20-0; 2-Mercaptopyridine, 98%; Thiopyridone-2; PYS; Pyridinethiol; mercaptopyridine
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) 111.17
Logarithm of the Partition Coefficient (xlogp) -0.1
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C5H5NS
IUPAC Name
1H-pyridine-2-thione
Canonical SMILES
C1=CC(=S)NC=C1
InChI
InChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
InChIKey
WHMDPDGBKYUEMW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2723698
ChEBI ID
CHEBI:45223
CAS Number
73018-10-7
DrugBank ID
DB03329
TTD ID
D0NI5C

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cathepsin B (CTSB) TTF2LRI CATB_HUMAN 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.