General Information of Drug (ID: DM7VT3P)

Drug Name
8-(1-Methyl-butoxy)-quinolin-2-ylamine
Synonyms CHEMBL187702; 8-(1-Methyl-butoxy)-quinolin-2-ylamine; SCHEMBL5884359
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) 230.31
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C14H18N2O
IUPAC Name
8-pentan-2-yloxyquinolin-2-amine
Canonical SMILES
CCCC(C)OC1=CC=CC2=C1N=C(C=C2)N
InChI
InChI=1S/C14H18N2O/c1-3-5-10(2)17-12-7-4-6-11-8-9-13(15)16-14(11)12/h4,6-10H,3,5H2,1-2H3,(H2,15,16)
InChIKey
KMEFXXMANWGJCR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11776033
TTD ID
D02QXF

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Melanin-concentrating hormone receptor 1 (MCHR1) TTX4RTB MCHR1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) 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
Melanin-concentrating hormone receptor 1 (MCHR1) DTT MCHR1 6.98E-01 -0.01 -0.04
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 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.