| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 25 | Yes |
Popular Name: (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-pentyl-tetrahydrofuran-2-carboxamide (2S,3S,4R,5R)-5-(6-aminopurin-9-…
| 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) | 0.83 | 0.87 | -16.32 | 5 | 10 | 0 | 148 | 350.379 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.83 | 1.12 | -37.99 | 6 | 10 | 1 | 150 | 351.387 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.83 | -3.28 | -34.88 | 6 | 10 | 1 | 150 | 351.387 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R-2-E | Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 979 | 0.34 | Binding ≤ 10μM |
| AA2AR-1-E | Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 605 | 0.35 | Binding ≤ 10μM |
| AA3R-2-E | Adenosine Receptor A3 (cluster #2 Of 6), Eukaryotic | Eukaryotes | 5560 | 0.29 | Binding ≤ 10μM |
| OXGR1-1-E | G Protein-coupled Receptor 80 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 12 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 979 | 0.34 | Binding ≤ 1μM |
| AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 605 | 0.35 | Binding ≤ 1μM |
| OXGR1_RAT | Q6Y1R5 | G Protein-coupled Receptor 80, Rat | 12 | 0.44 | Binding ≤ 1μM |
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 979 | 0.34 | Binding ≤ 10μM |
| AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 605 | 0.35 | Binding ≤ 10μM |
| AA3R_RAT | P28647 | Adenosine A3 Receptor, Rat | 5560 | 0.29 | Binding ≤ 10μM |
| OXGR1_RAT | Q6Y1R5 | G Protein-coupled Receptor 80, Rat | 12 | 0.44 | 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 |
