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]
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) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
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
CHEMBL37325
CAS Number
490-59-5
TTD ID
D0Y5TL
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) 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.