| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 26 | Yes |
Popular Name: 2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide 2-(4-fluorophenoxy)-N-[(4-methox…
| 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) | 3.56 | 7.5 | -13.9 | 1 | 5 | 0 | 60 | 352.365 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE4A-1-E | Phosphodiesterase 4A (cluster #1 Of 3), Eukaryotic | Eukaryotes | 730 | 0.33 | Binding ≤ 10μM |
| PDE4B-1-E | Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 730 | 0.33 | Binding ≤ 10μM |
| PDE4C-1-E | Phosphodiesterase 4C (cluster #1 Of 2), Eukaryotic | Eukaryotes | 730 | 0.33 | Binding ≤ 10μM |
| PDE4D-1-E | Phosphodiesterase 4D (cluster #1 Of 2), Eukaryotic | Eukaryotes | 730 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE4A_RAT | P54748 | Phosphodiesterase 4A, Rat | 730 | 0.33 | Binding ≤ 1μM |
| PDE4B_RAT | P14646 | Phosphodiesterase 4B, Rat | 730 | 0.33 | Binding ≤ 1μM |
| PDE4C_RAT | P14644 | Phosphodiesterase 4C, Rat | 730 | 0.33 | Binding ≤ 1μM |
| PDE4D_RAT | P14270 | Phosphodiesterase 4D, Rat | 730 | 0.33 | Binding ≤ 1μM |
| PDE4A_RAT | P54748 | Phosphodiesterase 4A, Rat | 730 | 0.33 | Binding ≤ 10μM |
| PDE4B_RAT | P14646 | Phosphodiesterase 4B, Rat | 730 | 0.33 | Binding ≤ 10μM |
| PDE4C_RAT | P14644 | Phosphodiesterase 4C, Rat | 730 | 0.33 | Binding ≤ 10μM |
| PDE4D_RAT | P14270 | Phosphodiesterase 4D, Rat | 730 | 0.33 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| DARPP-32 events | |
| G alpha (s) signalling events |
