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]
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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
TTD ID: D0P3FZ

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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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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.