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
• #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

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]

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

References

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