Details of the Drug

General Information of Drug (ID: DMCSOAV)

• Drug Name: 1-(1-(2-FLUOROPHENYL)-2-(2-(TRIFLUOROMETHOXY)PHENYL)ETHYL)PIPERAZINE (ENANTIOMERIC MIX)
• Synonyms: CHEMBL1083426; 1-(1-(2-FLUOROPHENYL)-2-(2-(TRIFLUOROMETHOXY)PHENYL)ETHYL)PIPERAZINE (ENANTIOMERIC MIX); SCHEMBL5443198; BDBM50319828; 1-(1-(2-fluorophenyl)-2-(2-(trifluoromethoxy)phenyl)ethyl)piperazine; (-)-1-(1-(2-fluorophenyl)-2-(2-(trifluoromethoxy)phenyl)ethyl)piperazine

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); 368.4
  Logarithm of the Partition Coefficient (xlogp); 4.4
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C19H20F4N2O
  IUPAC Name: 1-[1-(2-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine
  Canonical SMILES: C1CN(CCN1)C(CC2=CC=CC=C2OC(F)(F)F)C3=CC=CC=C3F
  InChI: InChI=1S/C19H20F4N2O/c20-16-7-3-2-6-15(16)17(25-11-9-24-10-12-25)13-14-5-1-4-8-18(14)26-19(21,22)23/h1-8,17,24H,9-13H2
  InChIKey: WARUECLCXNMKJR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 46890492
  TTD ID: D0GG2J
  VARIDT ID: DR01013

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Norepinephrine transporter (NET)	TTAWNKZ	SC6A2_HUMAN	Inhibitor	[1]
Serotonin transporter (SERT)	TT3ROYC	SC6A4_HUMAN	Inhibitor	[1]
Voltage-gated potassium channel Kv11.1 (KCNH2)	TTQ6VDM	KCNH2_HUMAN	Inhibitor	[1]

References

• [1] Second generation N-(1,2-diphenylethyl)piperazines as dual serotonin and noradrenaline reuptake inhibitors: improving metabolic stability and reduc... Bioorg Med Chem Lett. 2010 Jun 15;20(12):3788-92.