| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 25 | Yes |
| 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) | 2.99 | 8.23 | -17.38 | 1 | 5 | 0 | 62 | 342.439 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE3A-2-E | Phosphodiesterase 3A (cluster #2 Of 2), Eukaryotic | Eukaryotes | 5 | 0.46 | Binding ≤ 10μM |
| PDE3B-2-E | Phosphodiesterase 3B (cluster #2 Of 2), Eukaryotic | Eukaryotes | 69 | 0.40 | Binding ≤ 10μM |
| PDE5A-2-E | Phosphodiesterase 5A (cluster #2 Of 2), Eukaryotic | Eukaryotes | 7150 | 0.29 | Binding ≤ 10μM |
| AA1R-1-E | Adenosine A1 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2400 | 0.31 | Functional ≤ 10μM |
| AA2AR-1-E | Adenosine A2a Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2400 | 0.31 | Functional ≤ 10μM |
| AA2BR-1-E | Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2400 | 0.31 | Functional ≤ 10μM |
| AA3R-1-E | Adenosine A3 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2400 | 0.31 | Functional ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 10000 | 0.28 | Functional ≤ 10μM |
| Z50587-4-O | Homo Sapiens (cluster #4 Of 9), Other | Other | 1900 | 0.32 | Functional ≤ 10μM |
| Z50592-1-O | Oryctolagus Cuniculus (cluster #1 Of 8), Other | Other | 2200 | 0.32 | Functional ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 1200 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE3A_HUMAN | Q14432 | Phosphodiesterase 3A, Human | 10 | 0.45 | Binding ≤ 1μM |
| PDE3B_HUMAN | Q13370 | Phosphodiesterase 3B, Human | 10 | 0.45 | Binding ≤ 1μM |
| PDE3A_HUMAN | Q14432 | Phosphodiesterase 3A, Human | 10 | 0.45 | Binding ≤ 10μM |
| PDE3B_HUMAN | Q13370 | Phosphodiesterase 3B, Human | 10 | 0.45 | Binding ≤ 10μM |
| PDE5A_HUMAN | O76074 | Phosphodiesterase 5A, Human | 7150 | 0.29 | Binding ≤ 10μM |
| AA1R_RABIT | P34970 | Adenosine A1 Receptor, Rabit | 2400 | 0.31 | Functional ≤ 10μM |
| AA2AR_HUMAN | P29274 | Adenosine A2a Receptor, Human | 2400 | 0.31 | Functional ≤ 10μM |
| AA2BR_HUMAN | P29275 | Adenosine A2b Receptor, Human | 2400 | 0.31 | Functional ≤ 10μM |
| AA3R_RABIT | O02667 | Adenosine A3 Receptor, Rabit | 2400 | 0.31 | Functional ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 1900 | 0.32 | Functional ≤ 10μM |
| Z50592 | Z50592 | Oryctolagus Cuniculus | 2200 | 0.32 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 10000 | 0.28 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 1200 | 0.33 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| cGMP effects | |
| G alpha (s) signalling events | |
| NGF-independant TRKA activation | |
| PDE3B signalling |
