Details of the Drug

General Information of Drug (ID: DMUJ2WB)

• Drug Name: 1-(2-(2-(DIFLUOROMETHOXY)PHENYL)-1-PHENYLETHYL)PIPERAZINE (ENANTIOMERIC MIX)
• Synonyms: CHEMBL1083708; 1-(2-(2-(DIFLUOROMETHOXY)PHENYL)-1-PHENYLETHYL)PIPERAZINE (ENANTIOMERIC MIX); SCHEMBL5447686; BDBM50319818; 1-(2-(2-(difluoromethoxy)phenyl)-1-phenylethyl)piperazine; (-)-1-(2-(2-(difluoromethoxy)phenyl)-1-phenylethyl)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); 332.4
  Logarithm of the Partition Coefficient (xlogp); 4
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C19H22F2N2O
  IUPAC Name: 1-[2-[2-(difluoromethoxy)phenyl]-1-phenylethyl]piperazine
  Canonical SMILES: C1CN(CCN1)C(CC2=CC=CC=C2OC(F)F)C3=CC=CC=C3
  InChI: InChI=1S/C19H22F2N2O/c20-19(21)24-18-9-5-4-8-16(18)14-17(15-6-2-1-3-7-15)23-12-10-22-11-13-23/h1-9,17,19,22H,10-14H2
  InChIKey: VCVDPONUNCPTCQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 46890395
  TTD ID: D09FIC
  VARIDT ID: DR01012

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dopamine transporter (DAT)	TTVBI8W	SC6A3_HUMAN	Inhibitor	[1]
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.