| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 28 | No |
Popular Name: butyl-(4-pyridyl)BLAHdione butyl-(4-pyridyl)BLAHdione
| 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) | 3.16 | 9.49 | -11.14 | 1 | 6 | 0 | 69 | 374.444 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.16 | 9.77 | -40.5 | 2 | 6 | 1 | 71 | 375.452 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE1A-1-E | Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2000 | 0.28 | Binding ≤ 10μM |
| PDE1B-1-E | Phosphodiesterase 1B (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2000 | 0.28 | Binding ≤ 10μM |
| PDE5A-1-E | Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 300 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE5A_BOVIN | Q28156 | Phosphodiesterase 5A, Bovin | 300 | 0.33 | Binding ≤ 1μM |
| PDE5A_HUMAN | O76074 | Phosphodiesterase 5A, Human | 301.995172 | 0.33 | Binding ≤ 1μM |
| PDE1A_BOVIN | P14100 | Phosphodiesterase 1A, Bovin | 2000 | 0.28 | Binding ≤ 10μM |
| PDE1B_BOVIN | Q01061 | Phosphodiesterase 1B, Bovin | 2000 | 0.28 | Binding ≤ 10μM |
| PDE5A_BOVIN | Q28156 | Phosphodiesterase 5A, Bovin | 300 | 0.33 | Binding ≤ 10μM |
| PDE5A_HUMAN | O76074 | Phosphodiesterase 5A, Human | 301.995172 | 0.33 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Cam-PDE 1 activation | |
| cGMP effects | |
| G alpha (s) signalling events |
