adenosine
SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N |
InChIKey | OIRDTQYFTABQOQ-KQYNXXCUSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 4 |
Rotatable bonds | 2 |
Molecular weight (Da) | 267.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Endogenous |
Approved drug | Yes |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A1 | AA1R | Human | Adenosine | A | pKi | 7.0 | 7.0 | 7.0 | Guide to Pharmacology |
A2B | AA2BR | Human | Adenosine | A | pKi | 4.82 | 4.82 | 4.82 | Guide to Pharmacology |
A3 | AA3R | Human | Adenosine | A | pKi | 6.54 | 6.54 | 6.54 | Guide to Pharmacology |
A1 | AA1R | Rat | Adenosine | A | pKi | 7.14 | 7.14 | 7.14 | Guide to Pharmacology |
A2B | AA2BR | Rat | Adenosine | A | pKi | 5.29 | 5.29 | 5.29 | Guide to Pharmacology |
A3 | AA3R | Rat | Adenosine | A | pKi | 5.19 | 5.19 | 5.19 | Guide to Pharmacology |
A2A | AA2AR | Rat | Adenosine | A | pKi | 6.82 | 6.82 | 6.82 | Guide to Pharmacology |
A3 | AA3R | Rat | Adenosine | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.09 | 6.09 | 6.09 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKd | 6.53 | 6.53 | 6.53 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
A3 | AA3R | Rat | Adenosine | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
A2A | AA2AR | Rat | Adenosine | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.51 | 6.51 | 6.51 | Guide to Pharmacology |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.16 | 6.89 | 7.7 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKd | 7.76 | 7.76 | 7.76 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKd | 6.13 | 6.13 | 6.13 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 6.54 | 6.54 | 6.54 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 4.54 | 7.24 | 8.29 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKd | 5.71 | 5.71 | 5.71 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
A2A | AA2AR | Rat | Adenosine | A | pKi | 7.52 | 7.52 | 7.52 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A1 | AA1R | Guinea pig | Adenosine | A | pEC50 | 5.47 | 5.47 | 5.47 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pEC50 | 5.6 | 6.51 | 7.41 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pIC50 | 8.63 | 8.63 | 8.63 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pEC50 | 8.19 | 8.19 | 8.19 | Drug Central |
A2A | AA2AR | Human | Adenosine | A | pEC50 | 8.21 | 8.21 | 8.21 | Drug Central |
A2B | AA2BR | Human | Adenosine | A | pEC50 | 8.34 | 8.34 | 8.34 | Drug Central |
A2A | AA2AR | Human | Adenosine | A | pEC50 | 4.4 | 5.98 | 7.6 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pEC50 | 4.29 | 4.95 | 7.28 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pEC50 | 5.98 | 6.67 | 7.87 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pIC50 | 8.94 | 8.94 | 8.94 | ChEMBL |