| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 37 | No |
Popular Name: 8-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-dipropyl-9H-purine-2,6-dione 8-[1-[[3,5-bis(trifluoromethyl)p…
| 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) | 5.56 | 13.19 | -14.56 | 1 | 8 | 0 | 91 | 528.457 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA2BR-1-E | Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 350 | 0.24 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA2BR_HUMAN | P29275 | Adenosine A2b Receptor, Human | 350 | 0.24 | Binding ≤ 1μM |
| AA2BR_HUMAN | P29275 | Adenosine A2b Receptor, Human | 350 | 0.24 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| G alpha (s) signalling events |
