Details of the Drug

General Information of Drug (ID: DM4XGFW)

Drug Name
5-(piperidin-4-yl)isothiazol-3-ol
Synonyms CHEMBL109209; 5-(piperidin-4-yl)isothiazol-3-ol; Thio-4-PIOL; SCHEMBL2046840; 5-(4-Piperidyl)isothiazole-3-ol; 5-Piperidin-4-yl-isothiazol-3-ol; BDBM50032951; PDSP2_001589
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) 184.26
Logarithm of the Partition Coefficient (xlogp) 0
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C8H12N2OS
IUPAC Name
5-piperidin-4-yl-1,2-thiazol-3-one
Canonical SMILES
C1CNCCC1C2=CC(=O)NS2
InChI
InChI=1S/C8H12N2OS/c11-8-5-7(12-10-8)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H,10,11)
InChIKey
WUINUICOEAZPLK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10035301
ChEBI ID
CHEMBL109209
TTD ID
D0P3FZ
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
GABA(A) receptor alpha-1 (GABRA1) TT1MPAY GBRA1_HUMAN Inhibitor [1]
GABA(A) receptor gamma-2 (GABRG2) TT06RH5 GBRG2_HUMAN Inhibitor [1]
Gamma-aminobutyric acid receptor (GAR) TTNJYV2 NOUNIPROTAC Inhibitor [1]
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References

1 Potent 4-arylalkyl-substituted 3-isothiazolol GABA(A) competitive/noncompetitive antagonists: synthesis and pharmacology. J Med Chem. 2006 Feb 23;49(4):1388-96.