Details of the Drug

General Information of Drug (ID: DMZ53N4)

Drug Name

3-(7-methyl-1,8-naphthyridin-2-yl)benzonitrile

Synonyms

CHEMBL235837; 3-(7-methyl-1,8-naphthyridin-2-yl)benzonitrile

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)

245.28

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H11N3
IUPAC Name: 3-(7-methyl-1,8-naphthyridin-2-yl)benzonitrile
Canonical SMILES: CC1=NC2=C(C=C1)C=CC(=N2)C3=CC=CC(=C3)C#N
InChI: InChI=1S/C16H11N3/c1-11-5-6-13-7-8-15(19-16(13)18-11)14-4-2-3-12(9-14)10-17/h2-9H,1H3
InChIKey: LAVFGKYBDJIZSF-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 5 (mGluR5)	TTHS256	GRM5_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 5 (mGluR5)	DTT	GRM5	9.81E-07	-0.26	-0.54

Molecular Expression Atlas (MEA)

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References

1	Synthesis and SAR comparison of regioisomeric aryl naphthyridines as potent mGlu5 receptor antagonists. Bioorg Med Chem Lett. 2007 Dec 1;17(23):6525-8.