Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0B2NE
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| Former ID |
DIB018575
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| Drug Name |
2-phenylethylyl-adenosine derivative
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| Synonyms |
CHEMBL574602; 2-phenylethylyl-adenosine derivative; GTPL5600; BDBM50299701; N6-Methyl-2-phenylethynyl-5''-N-methylcarboxamidoadenosine
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C20H20N6O4
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| Canonical SMILES |
CNC1=C2C(=NC(=N1)C#CC3=CC=CC=C3)N(C=N2)C4C(C(C(O4)C(=O)NC)O)O
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| InChI |
1S/C20H20N6O4/c1-21-17-13-18(25-12(24-17)9-8-11-6-4-3-5-7-11)26(10-23-13)20-15(28)14(27)16(30-20)19(29)22-2/h3-7,10,14-16,20,27-28H,1-2H3,(H,22,29)(H,21,24,25)/t14-,15+,16-,20+/m0/s1
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| InChIKey |
PAFSPMXSTBOTSN-KSVNGYGVSA-N
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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: 5600). | |||
| REF 2 | Synthesis and biological evaluation of 2-alkynyl-N6-methyl-5'-N-methylcarboxamidoadenosine derivatives as potent and highly selective agonists for the human adenosine A3 receptor. J Med Chem. 2009 Dec 10;52(23):7897-900. | |||
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