| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 22nd, 2010 | 25 | Yes |
None
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.28 | 1.12 | -16.37 | 5 | 10 | 0 | 148 | 348.363 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R-2-E | Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 770 | 0.34 | Binding ≤ 10μM |
| AA2AR-1-E | Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 610 | 0.35 | Binding ≤ 10μM |
| AA3R-2-E | Adenosine Receptor A3 (cluster #2 Of 6), Eukaryotic | Eukaryotes | 32 | 0.42 | Binding ≤ 10μM |
| OXGR1-1-E | G Protein-coupled Receptor 80 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 49 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 770 | 0.34 | Binding ≤ 1μM |
| AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 610 | 0.35 | Binding ≤ 1μM |
| AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 32 | 0.42 | Binding ≤ 1μM |
| OXGR1_RAT | Q6Y1R5 | G Protein-coupled Receptor 80, Rat | 49 | 0.41 | Binding ≤ 1μM |
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 4900 | 0.30 | Binding ≤ 10μM |
| AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 610 | 0.35 | Binding ≤ 10μM |
| AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 32 | 0.42 | Binding ≤ 10μM |
| OXGR1_RAT | Q6Y1R5 | G Protein-coupled Receptor 80, Rat | 49 | 0.41 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events | |
| G alpha (s) signalling events | |
| NGF-independant TRKA activation |
