Details of the Drug

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]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

213.28

Logarithm of the Partition Coefficient (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]

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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	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 173).
2	Novel, potent, and selective quinoxaline-based 5-HT(3) receptor ligands. 1. Further structure-activity relationships and pharmacological characteri... J Med Chem. 2009 Nov 12;52(21):6946-50.
3	5-HT1 and 5-HT2 binding characteristics of some quipazine analogues. J Med Chem. 1986 Nov;29(11):2375-80.
4	Novel potent and selective central 5-HT3 receptor ligands provided with different intrinsic efficacy. 2. Molecular basis of the intrinsic efficacy ... J Med Chem. 1999 May 6;42(9):1556-75.
5	Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). J Med Chem. 2003 Jul 3;46(14):2795-812.
6	Syntheses and binding affinities of 6-nitroquipazine analogues for serotonin transporter. Part 1. Bioorg Med Chem Lett. 2000 Jul 17;10(14):1559-62.