Details of the Drug

General Information of Drug (ID: DMHZ5SB)

• Drug Name: 8-Methoxy-quinolin-2-ylamine
• Synonyms: 2-Quinolinamine, 8-methoxy-; 8-Methoxyquinolin-2-amine; 104090-86-0; CHEMBL77072; 8-Methoxy-quinolin-2-ylamine; ACMC-20m6vk; SCHEMBL1655715; CTK0G6598; DTXSID90624077; MolPort-020-915-686; PMXFKGCLUAFLMH-UHFFFAOYSA-N; 2-AMINO-8-METHOXYQUINOLINE; ZINC26399714; BDBM50025466; AKOS013465271

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); 174.2
  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: C10H10N2O
  IUPAC Name: 8-methoxyquinolin-2-amine
  Canonical SMILES: COC1=CC=CC2=C1N=C(C=C2)N
  InChI: InChI=1S/C10H10N2O/c1-13-8-4-2-3-7-5-6-9(11)12-10(7)8/h2-6H,1H3,(H2,11,12)
  InChIKey: PMXFKGCLUAFLMH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 22266820
  CAS Number: 104090-86-0
  TTD ID: D0D2PL

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]
Melanin-concentrating hormone receptor 1 (MCHR1)	TTX4RTB	MCHR1_HUMAN	Inhibitor	[2]

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.
• [2] Synthesis and evaluation of 2-amino-8-alkoxy quinolines as MCHr1 antagonists. Part 1. Bioorg Med Chem Lett. 2004 Oct 4;14(19):4873-7.