Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0A6IO
|
|||
| Former ID |
DIB020399
|
|||
| Drug Name |
MRE 3008F20
|
|||
| Synonyms |
CJRNHKSLHHWUAB-UHFFFAOYSA-N; MRE 3008-F20; 252979-43-4; CHEMBL302765; MCP-NECA; 3-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexaazatricyclo[7300^{2,6}]dodeca-1(12),2,4,7,9-pentaen-7-yl]-1-(4-methoxyphenyl)urea; [3H]MRE 3008F20; GTPL477; GTPL459; SCHEMBL958405; BDBM85618; MolPort-023-277-046; ZINC602413; MRE-3008F-20; AKOS024457944; NCGC00378820-01; KB-274663; J1251181G; L000411; N-[2-(2-Furanyl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-N'-(4-methoxyphenyl)urea; MRE 3008-F20
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
 |
Download2D MOL
|
||
| Formula |
C21H20N8O3
|
|||
| Canonical SMILES |
CCCN1C=C2C(=N1)N=C(N3C2=NC(=N3)C4=CC=CO4)NC(=O)NC5=CC=C(C=C5)OC
|
|||
| InChI |
1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)
|
|||
| InChIKey |
CJRNHKSLHHWUAB-UHFFFAOYSA-N
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| 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: 477). | |||
| REF 2 | 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: 459). | |||
| REF 3 | Adenosine receptors as therapeutic targets. Nat Rev Drug Discov. 2006 Mar;5(3):247-64. | |||
| REF 4 | [(3)H]MRE 3008F20: a novel antagonist radioligand for the pharmacological and biochemical characterization of human A(3) adenosine receptors. Mol Pharmacol. 2000 May;57(5):968-75. | |||
| REF 5 | Synthesis and preliminary biological evaluation of [3H]-MRE 3008-F20: the first high affinity radioligand antagonist for the human A3 adenosine receptors. Bioorg Med Chem Lett. 2000 Feb 7;10(3):209-11. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.