Details of the Drug

General Information of Drug (ID: DMWAK1R)

Drug Name
PHENYLPIPERAZINE
Synonyms
1-PHENYLPIPERAZINE; 92-54-6; N-Phenylpiperazine; Phenylpiperazine; Piperazine, 1-phenyl-; 1-Phenyl-piperazine; 1-Fenylpiperazin [Czech]; UNII-J9225CBI7D; n-phenyl piperazine; 1-phenyl piperazine; CCRIS 4334; N-Phenyldiethylenediamine; EINECS 202-165-6; BRN 0132157; CHEMBL9434; AI3-26332; J9225CBI7D; YZTJYBJCZXZGCT-UHFFFAOYSA-N; MFCD00005957; 1-Phenylpiperazine, 97%; 1-Fenylpiperazin; N-phenylpiperazin; N-PHENYLPIPERAZINE HYDROCHLORIDE; 1-phenylpiperazinehydrochloride; phenyl piperazine; phenyl-piperazine; N-phenylpyperazine
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) 162.23
Logarithm of the Partition Coefficient (xlogp) 1.1
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C10H14N2
IUPAC Name
1-phenylpiperazine
Canonical SMILES
C1CN(CCN1)C2=CC=CC=C2
InChI
InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2
InChIKey
YZTJYBJCZXZGCT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
7096
ChEBI ID
CHEMBL9434
CAS Number
92-54-6
TTD ID
D0X4RC
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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]
5-HT 1D receptor (HTR1D) TT6MSOK 5HT1D_HUMAN Inhibitor [1]
5-HT 2A receptor (HTR2A) TTJQOD7 5HT2A_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 5-HT1 and 5-HT2 binding characteristics of some quipazine analogues. J Med Chem. 1986 Nov;29(11):2375-80.