| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 12th, 2008 | 23 | Yes |
Popular Name: LS-85574 LS-85574
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) | 3.93 | 7.56 | -9.96 | 0 | 4 | 0 | 41 | 309.365 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.93 | 7.82 | -37.89 | 1 | 4 | 1 | 42 | 310.373 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE10-1-E | Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 49 | 0.44 | Binding ≤ 10μM |
| PDE3A-2-E | Phosphodiesterase 3A (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3980 | 0.33 | Binding ≤ 10μM |
| PDE3B-2-E | Phosphodiesterase 3B (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3100 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE10_HUMAN | Q9Y233 | Phosphodiesterase 10A, Human | 48.8 | 0.45 | Binding ≤ 1μM |
| PDE10_HUMAN | Q9Y233 | Phosphodiesterase 10A, Human | 48.8 | 0.45 | Binding ≤ 10μM |
| PDE3A_HUMAN | Q14432 | Phosphodiesterase 3A, Human | 3980 | 0.33 | Binding ≤ 10μM |
| PDE3B_HUMAN | Q13370 | Phosphodiesterase 3B, Human | 3100 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| cGMP effects | |
| G alpha (s) signalling events | |
| PDE3B signalling |
