Details of the Drug

General Information of Drug (ID: DM90KGB)

Drug Name

N-(6-ethoxypyridin-2-yl)acetamide

Synonyms

N-(6-ethoxypyridin-2-yl)acetamide; N-(6-ethoxy-pyridin-2-yl)-acetamide; 775-38-2; AC1LGO22; CHEMBL210256; BDBM15972; Aminopyridine-Based Inhibitor 46

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)

180.2

Logarithm of the Partition Coefficient (xlogp)

1

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C9H12N2O2
IUPAC Name: N-(6-ethoxypyridin-2-yl)acetamide
Canonical SMILES: CCOC1=CC=CC(=N1)NC(=O)C
InChI: InChI=1S/C9H12N2O2/c1-3-13-9-6-4-5-8(11-9)10-7(2)12/h4-6H,3H2,1-2H3,(H,10,11,12)
InChIKey: NSIROEGSOFOSDV-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Stress-activated protein kinase JNK1 (JNK1)	TT0K6EO	MK08_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
Stress-activated protein kinase JNK1 (JNK1)	DTT	MAPK8	1.48E-07	1.2	2.27

Molecular Expression Atlas (MEA)

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References

1	Aminopyridine-based c-Jun N-terminal kinase inhibitors with cellular activity and minimal cross-kinase activity. J Med Chem. 2006 Jun 15;49(12):3563-80.