Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D02OMP
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| Former ID |
DIB020025
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| Drug Name |
I-ABA
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| Synonyms |
N6-(4-amino-3-iodobenzyl)adenosine; IABA
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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 |
C17H19IN6O4
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| Canonical SMILES |
C1=CC(=C(C=C1CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O)I)N
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| InChI |
1S/C17H19IN6O4/c18-9-3-8(1-2-10(9)19)4-20-15-12-16(22-6-21-15)24(7-23-12)17-14(27)13(26)11(5-25)28-17/h1-3,6-7,11,13-14,17,25-27H,4-5,19H2,(H,20,21,22)/t11-,13-,14-,17-/m1/s1
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| InChIKey |
REGZQZHKIFOMRK-LSCFUAHRSA-N
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| CAS Number |
CAS 95523-14-1
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Adenosine A3 receptor (ADORA3) | Target Info | Agonist | [2] |
| Reactome | Adenosine P1 receptors | |||
| G alpha (i) signalling events | ||||
| WikiPathways | Nucleotide GPCRs | |||
| GPCRs, Class A Rhodopsin-like | ||||
| GPCRs, Other | ||||
| References | Top | |||
|---|---|---|---|---|
| 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: 458). | |||
| REF 2 | 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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