Details of the Drug

General Information of Drug (ID: DMG1PNX)

• Drug Name: 7-Phenyl-1-(pyridazin-3-yl)-heptan-1-one
• Synonyms: CHEMBL455556; 7-Phenyl-1-(pyridazin-3-yl)-heptan-1-one; SCHEMBL2161875; BDBM50262479

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); 268.35
  Logarithm of the Partition Coefficient (xlogp); 3.7
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C17H20N2O
  IUPAC Name: 7-phenyl-1-pyridazin-3-ylheptan-1-one
  Canonical SMILES: C1=CC=C(C=C1)CCCCCCC(=O)C2=NN=CC=C2
  InChI: InChI=1S/C17H20N2O/c20-17(16-12-8-14-18-19-16)13-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-12,14H,1-2,4,7,9,13H2
  InChIKey: DXGZKZUTNHLJNE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 24951319
  TTD ID: D03NTQ

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.