Details of the Drug

General Information of Drug (ID: DM3WOHI)

Drug Name

2-phenyl-1,8-naphthyridine

Synonyms

2-phenyl-1,8-naphthyridine; CHEMBL235396; SKVWGHJCDNDXAG-UHFFFAOYSA-N; SCHEMBL5309600; 1,8-Naphthyridine, 2-phenyl-; ZINC28826013

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)

206.24

Logarithm of the Partition Coefficient (xlogp)

3.1

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C14H10N2
IUPAC Name: 2-phenyl-1,8-naphthyridine
Canonical SMILES: C1=CC=C(C=C1)C2=NC3=C(C=CC=N3)C=C2
InChI: InChI=1S/C14H10N2/c1-2-5-11(6-3-1)13-9-8-12-7-4-10-15-14(12)16-13/h1-10H
InChIKey: SKVWGHJCDNDXAG-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.