Drug Information

Drug General Information
Drug ID
D0X3PD
Former ID
DIB020026
Drug Name
I-ABOPX
Synonyms
BW-A522
Drug Type
Small molecular drug
Indication Discovery agent Investigative [467719]
Formula
C23H22IN5O5
InChI
InChI=1S/C23H22IN5O5/c1-2-9-28-22(32)19-21(29(23(28)33)11-13-3-8-17(25)16(24)10-13)27-20(26-19)14-4-6-15(7-5-14)34-12-18(30)31/h3-8,10H,2,9,11-12,25H2,1H3,(H,26,27)(H,30,31)
InChIKey
DKJMGIXWGPEEFF-UHFFFAOYSA-N
PubChem Compound ID
163889
PubChem Substance ID
10255280, 14788818, 16607001, 46238210, 47657128, 47880120, 57350238, 79893013, 85209837, 103086409, 103148722, 103417062, 113452713, 117511985, 135120051, 135650361, 136350528, 162310478, 162776176, 179293824
Target and Pathway
Target(s) Adenosine A3 receptor Target Info Antagonist [533946]
Adenosine A2b receptor Target Info Antagonist [525595]
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 (i) signalling eventsR-HSA-417973:Adenosine P1 receptors
G alpha (s) signalling events
Surfactant metabolism
WikiPathways Nucleotide GPCRs
GPCRs, Class A Rhodopsin-like
GPCRs, OtherWP80:Nucleotide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 467719(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: 446).
Ref 525595Characterization of human A(2B) adenosine receptors: radioligand binding, western blotting, and coupling to G(q) in human embryonic kidney 293 cells and HMC-1 mast cells. Mol Pharmacol. 1999 Oct;56(4):705-13.
Ref 533946Molecular cloning and characterization of the human A3 adenosine receptor. Proc Natl Acad Sci U S A. 1993 Nov 1;90(21):10365-9.

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