| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 11th, 2009 | 41 | No |
Popular Name: 1,3-benzodioxol-5-yl-[(3R)-1-[2-(2-pyridyl)ethyl]pyrrolidin-3-yl]BLAHdione 1,3-benzodioxol-5-yl-[(3R)-1-[2-…
| 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) | 3.14 | 11.89 | -55.5 | 2 | 9 | 1 | 92 | 550.639 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 9.5 | -14.45 | 1 | 9 | 0 | 91 | 549.631 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNCG-1-E | Phosphodiesterase 6H (cluster #1 Of 1), Eukaryotic | Eukaryotes | 226 | 0.23 | Binding ≤ 10μM |
| CNRG-1-E | Phosphodiesterase 6G (cluster #1 Of 1), Eukaryotic | Eukaryotes | 226 | 0.23 | Binding ≤ 10μM |
| PDE11-1-E | Phosphodiesterase 11A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2 | 0.30 | Binding ≤ 10μM |
| PDE5A-1-E | Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2 | 0.30 | Binding ≤ 10μM |
| PDE6A-1-E | Rod CGMP-specific 3',5'-cyclic Phosphodiesterase Subunit Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 226 | 0.23 | Binding ≤ 10μM |
| PDE6B-1-E | Phosphodiesterase 6B (cluster #1 Of 1), Eukaryotic | Eukaryotes | 226 | 0.23 | Binding ≤ 10μM |
| PDE6C-1-E | Phosphodiesterase 6C (cluster #1 Of 1), Eukaryotic | Eukaryotes | 226 | 0.23 | Binding ≤ 10μM |
| PDE6D-1-E | Phosphodiesterase 6D (cluster #1 Of 1), Eukaryotic | Eukaryotes | 226 | 0.23 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE11_HUMAN | Q9HCR9 | Phosphodiesterase 11A, Human | 2.01 | 0.30 | Binding ≤ 1μM |
| PDE5A_HUMAN | O76074 | Phosphodiesterase 5A, Human | 1.5 | 0.30 | Binding ≤ 1μM |
| PDE6A_HUMAN | P16499 | Phosphodiesterase 6A, Human | 226 | 0.23 | Binding ≤ 1μM |
| PDE6B_HUMAN | P35913 | Phosphodiesterase 6B, Human | 226 | 0.23 | Binding ≤ 1μM |
| PDE6C_HUMAN | P51160 | Phosphodiesterase 6C, Human | 226 | 0.23 | Binding ≤ 1μM |
| PDE6D_HUMAN | O43924 | Phosphodiesterase 6D, Human | 226 | 0.23 | Binding ≤ 1μM |
| CNRG_HUMAN | P18545 | Phosphodiesterase 6G, Human | 226 | 0.23 | Binding ≤ 1μM |
| CNCG_HUMAN | Q13956 | Phosphodiesterase 6H, Human | 226 | 0.23 | Binding ≤ 1μM |
| PDE11_HUMAN | Q9HCR9 | Phosphodiesterase 11A, Human | 2.01 | 0.30 | Binding ≤ 10μM |
| PDE5A_HUMAN | O76074 | Phosphodiesterase 5A, Human | 1.5 | 0.30 | Binding ≤ 10μM |
| PDE6A_HUMAN | P16499 | Phosphodiesterase 6A, Human | 226 | 0.23 | Binding ≤ 10μM |
| PDE6B_HUMAN | P35913 | Phosphodiesterase 6B, Human | 226 | 0.23 | Binding ≤ 10μM |
| PDE6C_HUMAN | P51160 | Phosphodiesterase 6C, Human | 226 | 0.23 | Binding ≤ 10μM |
| PDE6D_HUMAN | O43924 | Phosphodiesterase 6D, Human | 226 | 0.23 | Binding ≤ 10μM |
| CNRG_HUMAN | P18545 | Phosphodiesterase 6G, Human | 226 | 0.23 | Binding ≤ 10μM |
| CNCG_HUMAN | Q13956 | Phosphodiesterase 6H, Human | 226 | 0.23 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of the phototransduction cascade | |
| Ca2+ pathway | |
| cGMP effects | |
| G alpha (s) signalling events | |
| Inactivation, recovery and regulation of the phototransduction cascade |
