Details of the Drug

General Information of Drug (ID: DMZ5ISH)

Drug Name

Imidazolidin-2-ylidene-quinoxalin-6-yl-amine

Synonyms

91147-43-2; CHEMBL49395; Brimonidine impurity II; 6-Quinoxalinamine, N-(4,5-dihydro-1H-imidazol-2-yl)-; SCHEMBL679239; N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine; SCHEMBL12860178; ZINC14042; CTK3I1267; DTXSID00436663; MolPort-039-240-453; N-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-6-QUINOXALINAMINE; BDBM50213029; N-quinoxalin-6-ylimidazolidin-2-imine; AKOS030240596

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)

213.24

Logarithm of the Partition Coefficient (xlogp)

-0.1

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C11H11N5
IUPAC Name: N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine
Canonical SMILES: C1CN=C(N1)NC2=CC3=NC=CN=C3C=C2
InChI: InChI=1S/C11H11N5/c1-2-9-10(13-4-3-12-9)7-8(1)16-11-14-5-6-15-11/h1-4,7H,5-6H2,(H2,14,15,16)
InChIKey: PVKUNRLEOHFACD-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10198248
CAS Number: 91147-43-2
TTD ID: D0N7UE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor alpha-1A (ADRA1A)	TTNGILX	ADA1A_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-1B (ADRA1B)	TTBRKXS	ADA1B_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-1D (ADRA1D)	TT34BHT	ADA1D_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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-1A (ADRA1A)	DTT	ADRA1A	9.43E-01	-0.03	-0.25

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Analogs of UK 14,304: Structural features responsible for alpha2 adrenoceptor activity, Bioorg. Med. Chem. Lett. 5(15):1745-1750 (1995).