Details of the Drug

General Information of Drug (ID: DMNOTH5)

Drug Name

ETHOXY-IDAZOXAN

Synonyms

RX-811059; 2-(2-Ethoxy-1,4-benzodioxan-2-yl)-1-imidazoline

Indication

Disease Entry	ICD 11	Status	REF
Poison intoxication	NE6Z	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

248.28

Logarithm of the Partition Coefficient (xlogp)

0.8

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C13H16N2O3
IUPAC Name: 2-(3-ethoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
Canonical SMILES: CCOC1(COC2=CC=CC=C2O1)C3=NCCN3
InChI: InChI=1S/C13H16N2O3/c1-2-17-13(12-14-7-8-15-12)9-16-10-5-3-4-6-11(10)18-13/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKey: PXTLRBYNGGDZBN-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor alpha-2C (ADRA2C)	TT2NUT5	ADA2C_HUMAN	Modulator	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Poison intoxication

ICD Disease Classification

NE6Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Adrenergic receptor alpha-2C (ADRA2C)	DTT	ADRA2C	1.76E-01	-0.06	-0.28

Molecular Expression Atlas (MEA)

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References

1	Discriminative stimulus properties of ethoxy idazoxan. J Psychopharmacol. 1995 Jan;9(3):228-33.