| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 16 | Yes |
Popular Name: DNC011872 DNC011872
7-allyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| 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 | 6.37 | -11.48 | 0 | 6 | 0 | 62 | 220.232 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.71 | 6.85 | -46.53 | 1 | 6 | 1 | 63 | 221.24 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA2BR-1-E | Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9490 | 0.44 | Binding ≤ 10μM |
| AA2AR-1-E | Adenosine A2a Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA2BR_HUMAN | P29275 | Adenosine A2b Receptor, Human | 9490 | 0.44 | Binding ≤ 10μM |
| AA2AR_CAVPO | P46616 | Adenosine A2a Receptor, Guinea Pig | 10000 | 0.44 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| G alpha (s) signalling events |
