| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2008 | 28 | No |
| 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) | 0.71 | -9.4 | -20.88 | 5 | 10 | 0 | 148 | 408.846 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.71 | -9.26 | -33.41 | 6 | 10 | 1 | 150 | 409.854 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.71 | -15.18 | -34.17 | 6 | 10 | 1 | 150 | 409.854 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R-2-E | Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 38 | 0.37 | Binding ≤ 10μM |
| AA2AR-1-E | Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1 | 0.45 | Binding ≤ 10μM |
| AA2BR-1-E | Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.45 | Binding ≤ 10μM |
| AA1R-1-E | Adenosine A1 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2520 | 0.28 | Functional ≤ 10μM |
| AA2AR-1-E | Adenosine A2a Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 715 | 0.31 | Functional ≤ 10μM |
| AA2BR-1-E | Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 715 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 37.9 | 0.37 | Binding ≤ 1μM |
| AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 1 | 0.45 | Binding ≤ 1μM |
| AA2BR_RAT | P29276 | Adenosine A2b Receptor, Rat | 1 | 0.45 | Binding ≤ 1μM |
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 37.9 | 0.37 | Binding ≤ 10μM |
| AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 1 | 0.45 | Binding ≤ 10μM |
| AA2BR_RAT | P29276 | Adenosine A2b Receptor, Rat | 1 | 0.45 | Binding ≤ 10μM |
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 2520 | 0.28 | Functional ≤ 10μM |
| AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 715 | 0.31 | Functional ≤ 10μM |
| AA2BR_RAT | P29276 | Adenosine A2b Receptor, Rat | 715 | 0.31 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| G alpha (i) signalling events | |
| G alpha (s) signalling events | |
| NGF-independant TRKA activation |
