Details of the Drug

General Information of Drug (ID: DM0EZSR)

Drug Name

1-(2-methoxyphenyl)-4-pentylpiperazine

Synonyms

CHEMBL1269289; 1-(2-methoxyphenyl)-4-pentylpiperazine; SCHEMBL13875119; BDBM50329677

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)

262.39

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H26N2O
IUPAC Name: 1-(2-methoxyphenyl)-4-pentylpiperazine
Canonical SMILES: CCCCCN1CCN(CC1)C2=CC=CC=C2OC
InChI: InChI=1S/C16H26N2O/c1-3-4-7-10-17-11-13-18(14-12-17)15-8-5-6-9-16(15)19-2/h5-6,8-9H,3-4,7,10-14H2,1-2H3
InChIKey: KOQVTIBXMDYTOB-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

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
5-HT 1A receptor (HTR1A)	DTT	HTR1A	2.18E-01	-0.11	-0.51

Molecular Expression Atlas (MEA)

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References

1	Identification of a red-emitting fluorescent ligand for in vitro visualization of human serotonin 5-HT(1A) receptors. Bioorg Med Chem Lett. 2010 Nov 15;20(22):6628-32.