General Information of the Compound
| Compound ID |
CP0394229
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3R,4S,5R)-2-(6-amino-2-(2-(5-hydroxy-1H-indol-3-yl)ethoxy)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol
Show/Hide
|
||||||||||||||||||
| Synonyms |
2-(3''''-(5''''-hydroxyindolyl)ethyloxy)adenosine
2-(3''-(5''-hydroxyindolyl)ethyloxy)adenosine
BDBM50208785
CHEMBL222500
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22N6O6
|
||||||||||||||||||
| Molecular Weight |
442.432
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(OCCc2c[nH]c3ccc(O)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22N6O6/c21-17-14-18(26(8-23-14)19-16(30)15(29)13(7-27)32-19)25-20(24-17)31-4-3-9-6-22-12-2-1-10(28)5-11(9)12/h1-2,5-6,8,13,15-16,19,22,27-30H,3-4,7H2,(H2,21,24,25)/t13-,15-,16-,19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CPKNPTKTLVLFFU-NVQRDWNXSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3
Clinical Information about the Compound