| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2009 | 24 | Yes |
Popular Name: (1R,2S,4S,5S)-4-[6-(cyclopentylamino)purin-9-yl]-1-(hydroxymethyl)bicyclo[3.1.0]hexan-2-ol (1R,2S,4S,5S)-4-[6-(cyclopentyla…
| 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) | 1.60 | 4.89 | -13.18 | 3 | 7 | 0 | 96 | 329.404 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.60 | 5.2 | -36.03 | 4 | 7 | 1 | 97 | 330.412 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R-2-E | Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 2890 | 0.32 | Binding ≤ 10μM |
| AA3R-2-E | Adenosine Receptor A3 (cluster #2 Of 6), Eukaryotic | Eukaryotes | 2880 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 5110 | 0.31 | Binding ≤ 10μM |
| AA1R_HUMAN | P30542 | Adenosine A1 Receptor, Human | 2890 | 0.32 | Binding ≤ 10μM |
| AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 2880 | 0.32 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| G alpha (i) signalling events |
