Details of the Drug

General Information of Drug (ID: DM0Y2P1)

Drug Name

2-(1H-benzo[d]imidazol-2-yl)quinoxaline

Synonyms

CHEMBL200636; benzimidazolylquinoxaline; benzimidazole-quinoxaline, C1; BDBM21215; 2-(1H-benzimidazol-2-yl)quinoxaline; 2-(1H-Benzoimidazole-2-yl)quinoxaline

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)

246.27

Logarithm of the Partition Coefficient (xlogp)

2.5

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C15H10N4
IUPAC Name: 2-(1H-benzimidazol-2-yl)quinoxaline
Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)C3=NC4=CC=CC=C4N=C3
InChI: InChI=1S/C15H10N4/c1-2-6-11-10(5-1)16-9-14(17-11)15-18-12-7-3-4-8-13(12)19-15/h1-9H,(H,18,19)
InChIKey: AYFBMQMYJRNGIM-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11658819
TTD ID: D0PU6F

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A1 receptor (ADORA1)	TTK25J1	AA1R_HUMAN	Inhibitor	[1]
Adenosine A2a receptor (ADORA2A)	TTM2AOE	AA2AR_HUMAN	Inhibitor	[1]
Adenosine A3 receptor (ADORA3)	TTJFY5U	AA3R_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Derivatives of 4-amino-6-hydroxy-2-mercaptopyrimidine as novel, potent, and selective A3 adenosine receptor antagonists. J Med Chem. 2008 Mar 27;51(6):1764-70.