Details of the Drug

General Information of Drug (ID: DMEHC2I)

Drug Name

PMID17936624C36

Synonyms

GTPL6445; BDBM50224926

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

280.32

Logarithm of the Partition Coefficient (xlogp)

3.1

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C17H16N2O2
IUPAC Name: 7-(3,5-dimethoxyphenyl)-2-methyl-1,6-naphthyridine
Canonical SMILES: CC1=NC2=CC(=NC=C2C=C1)C3=CC(=CC(=C3)OC)OC
InChI: InChI=1S/C17H16N2O2/c1-11-4-5-12-10-18-16(9-17(12)19-11)13-6-14(20-2)8-15(7-13)21-3/h4-10H,1-3H3
InChIKey: AWGMVVADCJSVIO-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	Modulator (allosteric modulator)	[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.