| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 20 | Yes |
Popular Name: 1-methyl-2-phenyl-7,8-dihydro-4H-imidazo[2,1-f]purin-5-one 1-methyl-2-phenyl-7,8-dihydro-4H…
| 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) | 1.74 | 5.87 | -10.63 | 1 | 6 | 0 | 68 | 267.292 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.74 | 7.1 | -92.99 | 3 | 6 | 2 | 71 | 269.308 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R-2-E | Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 1830 | 0.40 | Binding ≤ 10μM |
| AA3R-1-E | Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic | Eukaryotes | 47 | 0.51 | Binding ≤ 10μM |
| AA1R-1-E | Adenosine A1 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 500 | 0.44 | Functional ≤ 10μM |
| AA2BR-1-E | Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7000 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 47 | 0.51 | Binding ≤ 1μM |
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 1830 | 0.40 | Binding ≤ 10μM |
| AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 47 | 0.51 | Binding ≤ 10μM |
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 500 | 0.44 | Functional ≤ 10μM |
| AA2BR_MOUSE | Q60614 | Adenosine A2b Receptor, Mouse | 7000 | 0.36 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| G alpha (i) signalling events | |
| G alpha (s) signalling events |
