Details of the Drug

General Information of Drug (ID: DM7U2BE)

Drug Name

Alloxazine

Synonyms

Alloxazine; Isoalloxazine; 490-59-5; Alloxazin; benzo[g]pteridine-2,4(1H,3H)-dione; 1H-Benzo[g]pteridine-2,4-dione; Benzo(g)pteridine-2,4(1H,3H)-dione; UNII-880W3VF9YW; benzo[g]pteridine-2,4(3H,10H)-dione; CHEMBL68500; 880W3VF9YW; CHEBI:37325; HAUGRYOERYOXHX-UHFFFAOYSA-N; Benzo[g]pteridine-2,4[1H,3H]-dione; 1H,2H,3H,4H-benzo[g]pteridine-2,4-dione; Benzo[g]pteridine-2,3H)-dione; WLN: T C666 BN DMVMV INJ; 1,3-dihydrobenzo[g]pteridine-2,4-dione; SR-01000075199; Alloxazine, 96%; EINECS 207-714-3; NSC 203056; AC1NSYUA; Lopac-A-242

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)

214.18

Logarithm of the Partition Coefficient (xlogp)

0.4

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C10H6N4O2
IUPAC Name: 1H-benzo[g]pteridine-2,4-dione
Canonical SMILES: C1=CC=C2C(=C1)N=C3C(=N2)NC(=O)NC3=O
InChI: InChI=1S/C10H6N4O2/c15-9-7-8(13-10(16)14-9)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,12,13,14,15,16)
InChIKey: HAUGRYOERYOXHX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5372720
ChEBI ID: CHEBI:37325
CAS Number: 490-59-5
TTD ID: D0Y5TL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A2a receptor (ADORA2A)	TTM2AOE	AA2AR_HUMAN	Inhibitor	[2]
Adenosine A2b receptor (ADORA2B)	TTNE7KG	AA2BR_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 456).
2	2-n-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine and analogues as A2A adenosine receptor antagonists. Design, synthesis, and pharmacolog... J Med Chem. 2005 Nov 3;48(22):6887-96.