Details of the Drug

General Information of Drug (ID: DMBTMDG)

• Drug Name: (Z)-1,1,1-Trifluoro-nonadec-10-en-2-one
• Synonyms: CHEMBL422064; (Z)-1,1,1-Trifluoro-nonadec-10-en-2-one; SCHEMBL8059738; C19H33F3O; MolPort-009-018-697; HMS3649G07; BDBM50069273; 1964AH; ZINC34803437; LS-96805; (Z)-1,1,1-Trifluoro-10-nonadecen-2-one; (10z)-1,1,1-trifluorononadec-10-en-2-one; SR-01000946571; SR-01000946571-1

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); 334.5
  Logarithm of the Partition Coefficient (xlogp); 8.5
  Rotatable Bond Count (rotbonds); 15
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C19H33F3O
  IUPAC Name: (Z)-1,1,1-trifluorononadec-10-en-2-one
  Canonical SMILES: CCCCCCCC/C=C\\CCCCCCCC(=O)C(F)(F)F
  InChI: InChI=1S/C19H33F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(23)19(20,21)22/h9-10H,2-8,11-17H2,1H3/b10-9-
  InChIKey: SOJGXPSMVNTNQL-KTKRTIGZSA-N
• Cross-matching ID:
  PubChem CID: 9840659
  CAS Number: 177987-23-4
  TTD ID: D0I0MR

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.