Details of the Drug

General Information of Drug (ID: DMQMRGD)

• Drug Name: 7-Phenyl-1-(1,3,4-thiadiazol-2-yl)-heptan-1-one
• Synonyms: CHEMBL477371; SCHEMBL2162232; 7-Phenyl-1-(1,3,4-thiadiazol-2-yl)-heptan-1-one

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 274.4
  Logarithm of the Partition Coefficient (xlogp); 4.3
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C15H18N2OS
  IUPAC Name: 7-phenyl-1-(1,3,4-thiadiazol-2-yl)heptan-1-one
  Canonical SMILES: C1=CC=C(C=C1)CCCCCCC(=O)C2=NN=CS2
  InChI: InChI=1S/C15H18N2OS/c18-14(15-17-16-12-19-15)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,12H,1-2,4,7-8,11H2
  InChIKey: QUVXRHLPGVMXRU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 24951315
  TTD ID: D00CKY

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]

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

References

• [1] Optimization of the central heterocycle of alpha-ketoheterocycle inhibitors of fatty acid amide hydrolase. J Med Chem. 2008 Aug 14;51(15):4392-403.