Details of the Drug

General Information of Drug (ID: DM54ZKU)

Drug Name

1-(1-phenyl-2-(2-propoxyphenyl)ethyl)piperazine

Synonyms

CHEMBL213754; 1-(1-phenyl-2-(2-propoxyphenyl)ethyl)piperazine; SCHEMBL5447617

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

324.5

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C21H28N2O
IUPAC Name: 1-[1-phenyl-2-(2-propoxyphenyl)ethyl]piperazine
Canonical SMILES: CCCOC1=CC=CC=C1CC(C2=CC=CC=C2)N3CCNCC3
InChI: InChI=1S/C21H28N2O/c1-2-16-24-21-11-7-6-10-19(21)17-20(18-8-4-3-5-9-18)23-14-12-22-13-15-23/h3-11,20,22H,2,12-17H2,1H3
InChIKey: PSIGDYKJTYBHDY-UHFFFAOYSA-N

Cross-matching ID

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]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

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.