Details of the Drug

General Information of Drug (ID: DMZ7K5G)

Drug Name

5-(4-piperidyl)-4-propylisothiazol-3-ol

Synonyms

CHEMBL382791; 5-(4-piperidyl)-4-propylisothiazol-3-ol

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)

226.34

Logarithm of the Partition Coefficient (xlogp)

1.3

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C11H18N2OS
IUPAC Name: 5-piperidin-4-yl-4-propyl-1,2-thiazol-3-one
Canonical SMILES: CCCC1=C(SNC1=O)C2CCNCC2
InChI: InChI=1S/C11H18N2OS/c1-2-3-9-10(15-13-11(9)14)8-4-6-12-7-5-8/h8,12H,2-7H2,1H3,(H,13,14)
InChIKey: INIXNNKFVDXPBJ-UHFFFAOYSA-N

Cross-matching ID

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)

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.