Drug Information

Drug General Information
Drug ID
D09HUM
Former ID
DIB018435
Drug Name
[3H]XAC
Synonyms
[3H]xanthine amine congener
Drug Type
Small molecular drug
Indication Discovery agent Investigative [467657]
Structure
Download
2D MOL
Formula
C21H28N6O4
InChI
InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
InChIKey
FIQGIOAELHTLHM-UHFFFAOYSA-N
PubChem Compound ID
5697
PubChem Substance ID
5455855, 7980895, 8153492, 11111969, 14832106, 17405833, 24277745, 29224734, 47217013, 47359839, 47440501, 47805486, 47811001, 50107234, 50107235, 52225234, 53778385, 57322898, 85090417, 85209664, 85231286, 90340726, 92303217, 103579012, 103831832, 104309992, 117540046, 124750378, 124881826, 125165329, 127852773, 134224386, 135080024, 135651217, 135651329, 137014787, 138080078, 139569057, 162091057, 163138682, 163565233, 179151484, 227255507, 245019684, 250129973
Target and Pathway
Target(s) Adenosine A2b receptor Target Info Antagonist [533734]
KEGG Pathway Rap1 signaling pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
Alcoholism
NetPath Pathway TGF_beta_Receptor Signaling Pathway
TCR Signaling Pathway
Pathway Interaction Database C-MYB transcription factor network
PathWhiz Pathway Intracellular Signalling Through Adenosine Receptor A2b and Adenosine
Reactome Adenosine P1 receptors
G alpha (s) signalling events
Surfactant metabolism
WikiPathways Nucleotide GPCRs
GPCRs, Class A Rhodopsin-like
GPCR ligand binding
GPCR downstream signaling
References
Ref 467657(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: 432).
Ref 533734Site-directed mutagenesis identifies residues involved in ligand recognition in the human A2a adenosine receptor. J Biol Chem. 1995 Jun 9;270(23):13987-97.

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