Drug Information
Drug General Information | Top | |||
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Drug ID |
D0X3PD
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Former ID |
DIB020026
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Drug Name |
I-ABOPX
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Synonyms |
BW-A522
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Drug Type |
Small molecular drug
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL
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Formula |
C23H22IN5O5
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Canonical SMILES |
CCCN1C(=O)C2=C(N=C(N2)C3=CC=C(C=C3)OCC(=O)O)N(C1=O)CC4=CC(=C(C=C4)N)I
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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)
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InChIKey |
DKJMGIXWGPEEFF-UHFFFAOYSA-N
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CAS Number |
CAS 112533-64-9
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PubChem Compound ID | ||||
PubChem Substance ID |
Target and Pathway | Top | |||
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Target(s) | Adenosine A2b receptor (ADORA2B) | Target Info | Antagonist | [2] |
Adenosine A3 receptor (ADORA3) | Target Info | Antagonist | [3] | |
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 | ||||
Pathwhiz Pathway | Intracellular Signalling Through Adenosine Receptor A2b and Adenosine | |||
Pathway Interaction Database | C-MYB transcription factor network | |||
Reactome | Adenosine P1 receptors | |||
G alpha (i) signalling events | ||||
G alpha (s) signalling events | ||||
Surfactant metabolism | ||||
WikiPathways | Nucleotide GPCRs | |||
GPCRs, Class A Rhodopsin-like | ||||
GPCRs, Other | ||||
GPCR ligand binding | ||||
GPCR downstream signaling |
References | Top | |||
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REF 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: 446). | |||
REF 2 | Characterization 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 3 | Molecular 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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