General Information of Drug (ID: DMO8DYW)

Drug Name
7-(2-methoxyphenyl)-2-methylquinoline
Synonyms CHEMBL231991; 7-(2-methoxyphenyl)-2-methylquinoline
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) 249.31
Logarithm of the Partition Coefficient (xlogp) 4.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C17H15NO
IUPAC Name
7-(2-methoxyphenyl)-2-methylquinoline
Canonical SMILES
CC1=NC2=C(C=C1)C=CC(=C2)C3=CC=CC=C3OC
InChI
InChI=1S/C17H15NO/c1-12-7-8-13-9-10-14(11-16(13)18-12)15-5-3-4-6-17(15)19-2/h3-11H,1-2H3
InChIKey
JLXDREZJLZGNTK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44432672
TTD ID
D02SSD

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Metabotropic glutamate receptor 5 (mGluR5) TTHS256 GRM5_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
Metabotropic glutamate receptor 5 (mGluR5) DTT GRM5 9.81E-07 -0.26 -0.54
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Rational design of 7-arylquinolines as non-competitive metabotropic glutamate receptor subtype 5 antagonists. Bioorg Med Chem Lett. 2007 Aug 15;17(16):4415-8.