Details of the Drug

General Information of Drug (ID: DMDY3I2)

Drug Name
Quinoline-2-carboxylic acid adamantan-1-ylamide
Synonyms
CHEMBL399161; AC1ME9EW; quinoline-2-carboxylic acid adamantan-1-ylamide; Oprea1_069959; SCHEMBL6084070; MolPort-002-116-284; ZINC4776255; STK208477; N-1-adamantylquinoline-2-carboxamide; BDBM50231752; AKOS001569250; MCULE-4553069817; N-(1-adamantyl)quinoline-2-carboxamide; SR-01000399357; SR-01000399357-1
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) 306.4
Logarithm of the Partition Coefficient (xlogp) 4.5
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C20H22N2O
IUPAC Name
N-(1-adamantyl)quinoline-2-carboxamide
Canonical SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NC5=CC=CC=C5C=C4
InChI
InChI=1S/C20H22N2O/c23-19(18-6-5-16-3-1-2-4-17(16)21-18)22-20-10-13-7-14(11-20)9-15(8-13)12-20/h1-6,13-15H,7-12H2,(H,22,23)
InChIKey
JRSHTOGGDUKFMC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2851338
TTD ID
D0QN5E

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Metabotropic glutamate receptor 1 (mGluR1) TTVBPDM GRM1_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 1 (mGluR1) DTT GRM1 2.31E-01 -0.05 -0.2
Metabotropic glutamate receptor 1 (mGluR1) DTT GRM1 2.46E-02 0.11 0.74
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Positive and negative modulation of group I metabotropic glutamate receptors. J Med Chem. 2008 Feb 14;51(3):634-47.