Details of the Drug

General Information of Drug (ID: DMZ6QX0)

Drug Name

1-(1-phenyl-2-o-tolylethyl)piperazine

Synonyms

CHEMBL210028; 1-(1-phenyl-2-o-tolylethyl)piperazine; SCHEMBL5453605

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)

280.4

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C19H24N2
IUPAC Name: 1-[2-(2-methylphenyl)-1-phenylethyl]piperazine
Canonical SMILES: CC1=CC=CC=C1CC(C2=CC=CC=C2)N3CCNCC3
InChI: InChI=1S/C19H24N2/c1-16-7-5-6-10-18(16)15-19(17-8-3-2-4-9-17)21-13-11-20-12-14-21/h2-10,19-20H,11-15H2,1H3
InChIKey: XPYLNZBNFQMTKZ-UHFFFAOYSA-N

Cross-matching ID

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]

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Molecular Interaction Atlas (MIA)

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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
Serotonin transporter (SERT)	DTT	SLC6A4	8.76E-01	7.18E-05	6.19E-04

Molecular Expression Atlas (MEA)

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References

1	N-(1,2-diphenylethyl)piperazines: a new class of dual serotonin/noradrenaline reuptake inhibitor. Bioorg Med Chem Lett. 2006 Aug 15;16(16):4345-8.