Details of the Drug

General Information of Drug (ID: DMQIFZC)

Drug Name

8-Methoxy-2-(4-methyl-piperazin-1-yl)-quinoline

Synonyms

CHEMBL80775; 8-Methoxy-N-methylquipazine; 8-Methoxy-2-(4-methyl-piperazin-1-yl)-quinoline; BDBM50025469

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)

257.329

Logarithm of the Partition Coefficient (xlogp)

2.4

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C15H19N3O
IUPAC Name: 8-methoxy-2-(4-methylpiperazin-1-yl)quinoline
Canonical SMILES: CN1CCN(CC1)C2=NC3=C(C=CC=C3OC)C=C2
InChI: InChI=1S/C15H19N3O/c1-17-8-10-18(11-9-17)14-7-6-12-4-3-5-13(19-2)15(12)16-14/h3-7H,8-11H2,1-2H3
InChIKey: XPBCUYLZAWCBJJ-UHFFFAOYSA-N

Cross-matching ID

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 Interaction Atlas (MIA)

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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)

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References

1	5-HT1 and 5-HT2 binding characteristics of some quipazine analogues. J Med Chem. 1986 Nov;29(11):2375-80.