Details of the Drug

General Information of Drug (ID: DM9BIVL)

Drug Name

Quinoline-3-carboxylic acid adamantan-1-ylamide

Synonyms

CHEMBL253347; quinoline-3-carboxylic acid adamantan-1-ylamide; SCHEMBL6085211

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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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)

4.1

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-3-carboxamide
Canonical SMILES: C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC5=CC=CC=C5N=C4
InChI: InChI=1S/C20H22N2O/c23-19(17-8-16-3-1-2-4-18(16)21-12-17)22-20-9-13-5-14(10-20)7-15(6-13)11-20/h1-4,8,12-15H,5-7,9-11H2,(H,22,23)
InChIKey: FVQAOJSJLLDAKM-UHFFFAOYSA-N

Cross-matching ID

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]

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Molecular Interaction Atlas (MIA)

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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)

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References

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