| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2010 | 26 | No |
Popular Name: 6,6-dimethyl-2-[(2-nitrobenzoyl)amino]-5,7-dihydro-4H-benzothiophene-3-carboxamide 6,6-dimethyl-2-[(2-nitrobenzoyl)…
| 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) | 3.33 | 7.08 | -20.65 | 3 | 7 | 0 | 118 | 373.434 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE4B-1-E | Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 50 | 0.39 | Binding ≤ 10μM |
| PDE4D-1-E | Phosphodiesterase 4D (cluster #1 Of 2), Eukaryotic | Eukaryotes | 398 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE4B_HUMAN | Q07343 | Phosphodiesterase 4B, Human | 50.1187234 | 0.39 | Binding ≤ 1μM |
| PDE4D_HUMAN | Q08499 | Phosphodiesterase 4D, Human | 398.107171 | 0.34 | Binding ≤ 1μM |
| PDE4B_HUMAN | Q07343 | Phosphodiesterase 4B, Human | 50.1187234 | 0.39 | Binding ≤ 10μM |
| PDE4D_HUMAN | Q08499 | Phosphodiesterase 4D, Human | 398.107171 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| DARPP-32 events | |
| G alpha (s) signalling events |
