| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 26th, 2009 | 23 | Yes |
Popular Name: 8-chloro-6-(4-pyridyl)spiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one 8-chloro-6-(4-pyridyl)spiro[1,3-…
| 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) | 4.29 | 7.37 | -10.25 | 2 | 4 | 0 | 54 | 327.815 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 4.29 | 7.8 | -48.15 | 3 | 4 | 1 | 55 | 328.823 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE1A-1-E | Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3010 | 0.34 | Binding ≤ 10μM |
| PDE1B-1-E | Phosphodiesterase 1B (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3010 | 0.34 | Binding ≤ 10μM |
| PDE1C-1-E | Phosphodiesterase 1C (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3010 | 0.34 | Binding ≤ 10μM |
| PDE4D-1-E | Phosphodiesterase 4D (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1010 | 0.36 | Binding ≤ 10μM |
| PDE5A-1-E | Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9470 | 0.31 | Binding ≤ 10μM |
| PDE7A-1-E | Phosphodiesterase 7A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 30 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE7A_HUMAN | Q13946 | Phosphodiesterase 7A, Human | 30 | 0.46 | Binding ≤ 1μM |
| PDE1A_HUMAN | P54750 | Phosphodiesterase 1A, Human | 3010 | 0.34 | Binding ≤ 10μM |
| PDE1B_HUMAN | Q01064 | Phosphodiesterase 1B, Human | 3010 | 0.34 | Binding ≤ 10μM |
| PDE1C_HUMAN | Q14123 | Phosphodiesterase 1C, Human | 3010 | 0.34 | Binding ≤ 10μM |
| PDE4D_HUMAN | Q08499 | Phosphodiesterase 4D, Human | 1010 | 0.36 | Binding ≤ 10μM |
| PDE5A_HUMAN | O76074 | Phosphodiesterase 5A, Human | 9470 | 0.31 | Binding ≤ 10μM |
| PDE7A_HUMAN | Q13946 | Phosphodiesterase 7A, Human | 30 | 0.46 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Cam-PDE 1 activation | |
| cGMP effects | |
| DARPP-32 events | |
| G alpha (s) signalling events |
