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]
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
ChEBI ID
CHEMBL9841
CAS Number
39512-50-0
TTD ID
D0O9HS
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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 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) 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.