Details of the Drug

General Information of Drug (ID: DMG4HO3)

Drug Name
4-(1,2,3-thiadiazol-4-yl)phenyl butylcarbamate
Synonyms
CHEMBL551567; AC1MCABO; 4-(1,2,3-thiadiazol-4-yl)phenyl butylcarbamate; MolPort-002-920-365; HMS1668O20; ZINC3119736; BDBM50295657; MCULE-2085974247; CCG-245837; [4-(thiadiazol-4-yl)phenyl] N-butylcarbamate
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) 277.34
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C13H15N3O2S
IUPAC Name
[4-(thiadiazol-4-yl)phenyl] N-butylcarbamate
Canonical SMILES
CCCCNC(=O)OC1=CC=C(C=C1)C2=CSN=N2
InChI
InChI=1S/C13H15N3O2S/c1-2-3-8-14-13(17)18-11-6-4-10(5-7-11)12-9-19-16-15-12/h4-7,9H,2-3,8H2,1H3,(H,14,17)
InChIKey
XVFSPFDRDOHQIV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2739381
ChEBI ID
CHEMBL551567
TTD ID
D03DXV
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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 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) Jump to Detail Molecular Expression Atlas of This Drug

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.