Details of the Drug

General Information of Drug (ID: DMYSM9L)

Drug Name

2-(3-bromophenyl)-7-methyl-1,8-naphthyridine

Synonyms

CHEMBL237906; 2-(3-bromophenyl)-7-methyl-1,8-naphthyridine

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)

299.16

Logarithm of the Partition Coefficient (xlogp)

4.2

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C15H11BrN2
IUPAC Name: 2-(3-bromophenyl)-7-methyl-1,8-naphthyridine
Canonical SMILES: CC1=NC2=C(C=C1)C=CC(=N2)C3=CC(=CC=C3)Br
InChI: InChI=1S/C15H11BrN2/c1-10-5-6-11-7-8-14(18-15(11)17-10)12-3-2-4-13(16)9-12/h2-9H,1H3
InChIKey: YAOUIVOXDAAEBA-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.