Details of the Drug

General Information of Drug (ID: DM5RE71)

Drug Name

1-(2-Chloro-phenyl)-piperazine

Synonyms

1-(2-Chlorophenyl)piperazine; 39512-50-0; 1-(2-Chloro-phenyl)-piperazine; Piperazine, 1-(2-chlorophenyl)-; CHEMBL9841; 1-(2-chlorophenyl) piperazine; PWZDJIUQHUGFRJ-UHFFFAOYSA-N; 1-(o-CHLOROPHENYL)PIPERAZINE; (2-chlorophenyl)piperazine; Chlorphenylpiperazin; EINECS 254-480-3; PubChem14571; AC1Q3KEP; ACMC-1AIF1; ortho-chlorophenylpiperazine; AC1L9A0W; DSSTox_RID_97408; DSSTox_CID_31523; N-(o-Chlorophenyl)piperazine; DSSTox_GSID_57734; N-(2-Chlorophenyl)piperazine; KSC224M6P; SCHEMBL230424; N-(o-chlorophenyl)-piperazine

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)

196.67

Logarithm of the Partition Coefficient (xlogp)

2

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C10H13ClN2
IUPAC Name: 1-(2-chlorophenyl)piperazine
Canonical SMILES: C1CN(CCN1)C2=CC=CC=C2Cl
InChI: InChI=1S/C10H13ClN2/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKey: PWZDJIUQHUGFRJ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 415628
CAS Number: 39512-50-0
TTD ID: D0O9HS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 1A receptor (HTR1A)	TTSQIFT	5HT1A_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-1A (ADRA1A)	TTNGILX	ADA1A_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-1D (ADRA1D)	TT34BHT	ADA1D_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Pyrimido[5,4-b]indole derivatives. 1. A new class of potent and selective alpha 1 adrenoceptor ligands. J Med Chem. 1991 Jun;34(6):1850-4.