Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0J2UW
|
|||
| Former ID |
DNC000411
|
|||
| Drug Name |
CGS 21680
|
|||
| Synonyms |
2-(4-(2-Carboxyethyl)phenethylamino)-5'-N-ethylcarboxamidoadenosine; Cgs 21680; CGS-21680; 120225-54-9; UNII-T5HB1E831H; T5HB1E831H; CHEMBL331372; CGS21680; 4-(2-((6-Amino-9-(N-ethyl-beta-D-ribofuranuronamidosyl)-9H-purin-2-yl)amino)ethyl)benzenepropanoic acid; CHEBI:73283; CGS 21680 hydrochloride; Benzenepropanoic acid, 4-(2-((6-amino-9-(N-ethyl-beta-D-ribofuranuronamidosyl)-9H-purin-2-yl)amino)ethyl)-; 2-[p-(2-Carboxyethyl)phenylethyl-Amino]-5'-N-Ethylcarboxamido Adenosine; [3H]CGS 21680
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C23H29N7O6
|
|||
| Canonical SMILES |
CCNC(=O)C1C(C(C(O1)N2C=NC3=C(N=C(N=C32)NCCC4=CC=C(C=C4)CCC(=O)O)N)O)O
|
|||
| InChI |
1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1
|
|||
| InChIKey |
PAOANWZGLPPROA-RQXXJAGISA-N
|
|||
| CAS Number |
CAS 120225-54-9
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID |
7978912, 10748414, 14859889, 24263018, 36416348, 49881014, 50104707, 53790868, 57356012, 78010568, 85856597, 90341157, 103342361, 103980562, 111695205, 128888237, 134341772, 135061368, 135650083, 135651144, 139543640, 140916706, 144233173, 144233174, 152258457, 160647293, 162169286, 162220816, 179590195, 185975553, 198970009, 224517877, 227013111, 249814827, 249814828, 249814829, 252333367
|
|||
| ChEBI ID |
CHEBI:73283
|
|||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Adenosine A2a receptor (ADORA2A) | Target Info | Agonist | [2] |
| Adenosine A2b receptor (ADORA2B) | Target Info | Agonist | [3] | |
| KEGG Pathway | Rap1 signaling pathway | |||
| Calcium signaling pathway | ||||
| Neuroactive ligand-receptor interaction | ||||
| Vascular smooth muscle contraction | ||||
| Alcoholism | ||||
| cAMP signaling pathway | ||||
| Parkinson's disease | ||||
| NetPath Pathway | TGF_beta_Receptor Signaling Pathway | |||
| TCR Signaling Pathway | ||||
| Pathwhiz Pathway | Intracellular Signalling Through Adenosine Receptor A2b and Adenosine | |||
| Intracellular Signalling Through Adenosine Receptor A2a and Adenosine | ||||
| Pathway Interaction Database | C-MYB transcription factor network | |||
| HIF-2-alpha transcription factor network | ||||
| Reactome | Adenosine P1 receptors | |||
| G alpha (s) signalling events | ||||
| Surfactant metabolism | ||||
| NGF-independant TRKA activation | ||||
| WikiPathways | Nucleotide GPCRs | |||
| GPCRs, Class A Rhodopsin-like | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| Monoamine Transport | ||||
| NGF signalling via TRKA from the plasma membrane | ||||
| 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: 424). | |||
| REF 2 | Effects of CGS 21680, a selective adenosine A2A receptor agonist, on allergic airways inflammation in the rat. Eur J Pharmacol. 2002 Mar 8;438(3):183-8. | |||
| REF 3 | [3H]CGS 21680, a selective A2 adenosine receptor agonist directly labels A2 receptors in rat brain. J Pharmacol Exp Ther. 1989 Dec;251(3):888-93. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.