Details of the Drug

General Information of Drug (ID: DMNWC29)

Drug Name
8-Methoxy-2-piperazin-1-yl-quinoline
Synonyms
8-Methoxy-2-piperazin-1-yl-quinoline; CHEMBL80691; Quinoline, 8-methoxy-2-(1-piperazinyl)-; 104090-79-1; 8-Methoxyquipazine; ACMC-20m6vj; SCHEMBL6767019; CTK0G6599; DTXSID30627183; CUULVNAZRYFNIT-UHFFFAOYSA-N; ZINC26467647; BDBM50025465; AKOS022401904
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) 243.3
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C14H17N3O
IUPAC Name
8-methoxy-2-piperazin-1-ylquinoline
Canonical SMILES
COC1=CC=CC2=C1N=C(C=C2)N3CCNCC3
InChI
InChI=1S/C14H17N3O/c1-18-12-4-2-3-11-5-6-13(16-14(11)12)17-9-7-15-8-10-17/h2-6,15H,7-10H2,1H3
InChIKey
CUULVNAZRYFNIT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
22636319
CAS Number
104090-79-1
TTD ID
D0TH8D
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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
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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.