Details of the Drug

General Information of Drug (ID: DMSFGRI)

Drug Name

4-(1,2,3-thiadiazol-4-yl)phenyl hexylcarbamate

Synonyms

CHEMBL550587; 4-(1,2,3-thiadiazol-4-yl)phenyl hexylcarbamate

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)

305.4

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C15H19N3O2S
IUPAC Name: [4-(thiadiazol-4-yl)phenyl] N-hexylcarbamate
Canonical SMILES: CCCCCCNC(=O)OC1=CC=C(C=C1)C2=CSN=N2
InChI: InChI=1S/C15H19N3O2S/c1-2-3-4-5-10-16-15(19)20-13-8-6-12(7-9-13)14-11-21-18-17-14/h6-9,11H,2-5,10H2,1H3,(H,16,19)
InChIKey: KWDYSOZHSAWBCY-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fatty acid amide hydrolase (FAAH)	TTDP1UC	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Fatty acid amide hydrolase (FAAH)	DTT	NO-GeName	2.65E-01	0.02	0.1

Molecular Expression Atlas (MEA)

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References

1	The synthesis and biological evaluation of para-substituted phenolic N-alkyl carbamates as endocannabinoid hydrolyzing enzyme inhibitors. Eur J Med Chem. 2009 Jul;44(7):2994-3008.