Details of the Drug

General Information of Drug (ID: DMRDHL2)

Drug Name

(1H-Imidazol-2-yl)-quinoxalin-6-yl-amine

Synonyms

CHEMBL74449; 6-Quinoxalinamine, N-1H-imidazol-2-yl-; (1H-Imidazol-2-yl)-quinoxalin-6-yl-amine; BDBM50055838

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)

211.22

Logarithm of the Partition Coefficient (xlogp)

1.2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C11H9N5
IUPAC Name: N-(1H-imidazol-2-yl)quinoxalin-6-amine
Canonical SMILES: C1=CC2=NC=CN=C2C=C1NC3=NC=CN3
InChI: InChI=1S/C11H9N5/c1-2-9-10(13-4-3-12-9)7-8(1)16-11-14-5-6-15-11/h1-7H,(H2,14,15,16)
InChIKey: CDFWKVORAWOKDO-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-2A (ADRA2A)	TTWG9A4	ADA2A_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-2C (ADRA2C)	TT2NUT5	ADA2C_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
Adrenergic receptor alpha-2C (ADRA2C)	DTT	ADRA2C	1.76E-01	-0.06	-0.28

Molecular Expression Atlas (MEA)

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References

1	Synthesis and evaluation of 2-(arylamino)imidazoles as alpha 2-adrenergic agonists. J Med Chem. 1997 Jan 3;40(1):18-23.