| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2006 | 27 | Yes |
Popular Name: VUF-8504 VUF-8504
None
| 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) | 3.87 | 9.99 | -20.22 | 1 | 5 | 0 | 64 | 355.397 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.04 | -0.37 | -40.71 | 2 | 5 | 1 | 68 | 356.405 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA3R-4-E | Adenosine Receptor A3 (cluster #4 Of 6), Eukaryotic | Eukaryotes | 62 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 17 | 0.40 | Binding ≤ 1μM |
| AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 1690 | 0.30 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| G alpha (i) signalling events |
