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
CHEMBL45223
CAS Number
73018-10-7
UNII
EE982KT952
DrugBank ID
DB03329
TTD ID
D0NI5C
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.