General Information of Drug (ID: DMPY6IG)

Drug Name
Quipazine
Synonyms
quipazine; 4774-24-7; 2-(piperazin-1-yl)quinoline; 2-Piperazin-1-yl-quinoline; 2-Piperazin-1-ylquinoline; Quinoline, 2-(1-piperazinyl)-; 2-(1-Piperazinyl)quinoline; Quipazine [INN]; 1-(2-Quinolinyl)piperazine; Quipazinum [INN-Latin]; Quipazina [INN-Spanish]; UNII-4WCY05C0SJ; 1-(2-Quinolyl)piperazine; 2-(1-Piperazinyl)chinolin; BRN 0196945; 4WCY05C0SJ; CHEMBL18772; 2-quinolylpiperazine; F3306-0004; Quipazinum; Quipazina; TPC-A004; MA-1291; Spectrum_001733; Tocris-0629; piperazin-1-yl-quinoline; AC1L1JEX; AC1Q4WAV; Spectrum4_001259
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) 213.28
Topological Polar Surface Area (xlogp) 1.5
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C13H15N3
IUPAC Name
2-piperazin-1-ylquinoline
Canonical SMILES
C1CN(CCN1)C2=NC3=CC=CC=C3C=C2
InChI
InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2
InChIKey
XRXDAJYKGWNHTQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5011
ChEBI ID
CHEBI:93368
CAS Number
4774-24-7
TTD ID
D08BCF
VARIDT ID
DR00969

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 [2]
5-HT 1D receptor (HTR1D) TT6MSOK 5HT1D_HUMAN Inhibitor [3]
5-HT 2A receptor (HTR2A) TTJQOD7 5HT2A_HUMAN Inhibitor [2]
5-HT 3A receptor (HTR3A) TTPC4TU 5HT3A_HUMAN Inhibitor [2]
5-HT 3B receptor (HTR3B) TTR6K75 5HT3B_HUMAN Inhibitor [4]
5-HT 6 receptor (HTR6) TTJS8PY 5HT6R_HUMAN Inhibitor [5]
Serotonin transporter (SERT) TT3ROYC SC6A4_HUMAN Inhibitor [6]
Molecular Interaction Atlas (MIA) 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) Jump to Detail Molecular Expression Atlas of This Drug

References

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