Details of the Drug

General Information of Drug (ID: DMX2SFW)

• Drug Name: 1,1,1-Trifluoro-undecan-2-one
• Synonyms: CHEMBL90258; 1,1,1-trifluoroundecan-2-one; 1,1,1-trifluoro-2-undecanone; 1,1,1-Trifluoro-undecan-2-one; BDBM50073985; AKOS012260318; 3-octyl-1,1,1-trifluoro-2-propanone; 3-Octyl-1,1,1-trifluoropropan-2-one

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 224.26
  Logarithm of the Partition Coefficient (xlogp); 5.2
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C11H19F3O
  IUPAC Name: 1,1,1-trifluoroundecan-2-one
  Canonical SMILES: CCCCCCCCCC(=O)C(F)(F)F
  InChI: InChI=1S/C11H19F3O/c1-2-3-4-5-6-7-8-9-10(15)11(12,13)14/h2-9H2,1H3
  InChIKey: ZKJPGCCWKBTIBE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10609180
  TTD ID: D00ULT

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] Discovery of a potent, selective, and efficacious class of reversible alpha-ketoheterocycle inhibitors of fatty acid amide hydrolase effective as a... J Med Chem. 2005 Mar 24;48(6):1849-56.