Details of the Drug

General Information of Drug (ID: DMG1KIJ)

Drug Name

(3-Ethoxy-pyridin-2-yl)-pyridin-2-yl-amine

Synonyms

CHEMBL194743; (3-Ethoxy-pyridin-2-yl)-pyridin-2-yl-amine; SCHEMBL5582608

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)

215.25

Logarithm of the Partition Coefficient (xlogp)

2.3

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C12H13N3O
IUPAC Name: 3-ethoxy-N-pyridin-2-ylpyridin-2-amine
Canonical SMILES: CCOC1=C(N=CC=C1)NC2=CC=CC=N2
InChI: InChI=1S/C12H13N3O/c1-2-16-10-6-5-9-14-12(10)15-11-7-3-4-8-13-11/h3-9H,2H2,1H3,(H,13,14,15)
InChIKey: QXDACVHUAQTTKS-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	Dipyridyl amines: potent metabotropic glutamate subtype 5 receptor antagonists. Bioorg Med Chem Lett. 2005 Oct 1;15(19):4350-3.