Details of the Drug

General Information of Drug (ID: DM8TWY7)

• Drug Name: 1,1,1-Trifluoro-nonadecan-2-one
• Synonyms: 2-Nonadecanone, 1,1,1-trifluoro-; CHEMBL89946; 1,1,1-trifluorononadecan-2-one; 81124-01-8; 1,1,1-Trifluoro-nonadecan-2-one; AC1L4IKT; CTK5E8478; DTXSID90230910; 1,1,1-Trifluoro-2-nonadecanone; 2-Nonadecanone,1,1,1-trifluoro-

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 336.5
  Logarithm of the Partition Coefficient (xlogp); 9.5
  Rotatable Bond Count (rotbonds); 16
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C19H35F3O
  IUPAC Name: 1,1,1-trifluorononadecan-2-one
  Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)C(F)(F)F
  InChI: InChI=1S/C19H35F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(23)19(20,21)22/h2-17H2,1H3
  InChIKey: SYQIFPOSGNRRCM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 157730
  ChEBI ID: CHEMBL89946
  CAS Number: 81124-01-8
  TTD ID: D0B1BQ
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

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.