| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2005 | 27 | Yes |
Popular Name: 1-benzyl-3-[3-(methylsulfinyl)phenyl]-3,7-dihydro-1H-purine-2,6-dione 1-benzyl-3-[3-(methylsulfinyl)ph…
| 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) | 1.89 | -1.75 | -19.21 | 1 | 7 | 0 | 89 | 380.429 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE4A-3-E | Phosphodiesterase 4A (cluster #3 Of 3), Eukaryotic | Eukaryotes | 1600 | 0.30 | Binding ≤ 10μM |
| PDE4B-2-E | Phosphodiesterase 4B (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1600 | 0.30 | Binding ≤ 10μM |
| PDE4C-2-E | Phosphodiesterase 4C (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1600 | 0.30 | Binding ≤ 10μM |
| PDE4D-2-E | Phosphodiesterase 4D (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1600 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE4A_HUMAN | P27815 | Phosphodiesterase 4A, Human | 1600 | 0.30 | Binding ≤ 10μM |
| PDE4B_HUMAN | Q07343 | Phosphodiesterase 4B, Human | 1600 | 0.30 | Binding ≤ 10μM |
| PDE4C_HUMAN | Q08493 | Phosphodiesterase 4C, Human | 1600 | 0.30 | Binding ≤ 10μM |
| PDE4D_HUMAN | Q08499 | Phosphodiesterase 4D, Human | 1600 | 0.30 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| DARPP-32 events | |
| G alpha (s) signalling events |
