| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 28 | Yes |
Popular Name: CDP840 CDP840
| 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) | 5.06 | 1.99 | -9.25 | 0 | 3 | 0 | 31 | 373.496 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.06 | 2.1 | -39.4 | 1 | 3 | 1 | 32 | 374.504 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE4A-1-E | Phosphodiesterase 4A (cluster #1 Of 3), Eukaryotic | Eukaryotes | 670 | 0.31 | Binding ≤ 10μM |
| PDE4B-1-E | Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 670 | 0.31 | Binding ≤ 10μM |
| PDE4C-1-E | Phosphodiesterase 4C (cluster #1 Of 2), Eukaryotic | Eukaryotes | 670 | 0.31 | Binding ≤ 10μM |
| PDE4D-1-E | Phosphodiesterase 4D (cluster #1 Of 2), Eukaryotic | Eukaryotes | 670 | 0.31 | Binding ≤ 10μM |
| PDE4A-1-E | Phosphodiesterase 4A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 600 | 0.31 | Functional ≤ 10μM |
| PDE4B-1-E | Phosphodiesterase 4B (cluster #1 Of 1), Eukaryotic | Eukaryotes | 600 | 0.31 | Functional ≤ 10μM |
| PDE4C-1-E | Phosphodiesterase 4C (cluster #1 Of 1), Eukaryotic | Eukaryotes | 600 | 0.31 | Functional ≤ 10μM |
| PDE4D-1-E | Phosphodiesterase 4D (cluster #1 Of 1), Eukaryotic | Eukaryotes | 600 | 0.31 | Functional ≤ 10μM |
| Z100709-1-O | Squirrel Monkey (cluster #1 Of 1), Other | Other | 600 | 0.31 | Functional ≤ 10μM |
| Z50587-4-O | Homo Sapiens (cluster #4 Of 9), Other | Other | 8500 | 0.25 | Functional ≤ 10μM |
| Z80566-1-O | U-937 (Histiocytic Lymphoma Cells) (cluster #1 Of 2), Other | Other | 290 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE4A_HUMAN | P27815 | Phosphodiesterase 4A, Human | 17.5 | 0.39 | Binding ≤ 1μM |
| PDE4B_HUMAN | Q07343 | Phosphodiesterase 4B, Human | 1.4 | 0.44 | Binding ≤ 1μM |
| PDE4C_HUMAN | Q08493 | Phosphodiesterase 4C, Human | 4.5 | 0.42 | Binding ≤ 1μM |
| PDE4D_HUMAN | Q08499 | Phosphodiesterase 4D, Human | 2.1 | 0.43 | Binding ≤ 1μM |
| PDE4A_HUMAN | P27815 | Phosphodiesterase 4A, Human | 10000 | 0.25 | Binding ≤ 10μM |
| PDE4B_HUMAN | Q07343 | Phosphodiesterase 4B, Human | 1.4 | 0.44 | Binding ≤ 10μM |
| PDE4C_HUMAN | Q08493 | Phosphodiesterase 4C, Human | 4.5 | 0.42 | Binding ≤ 10μM |
| PDE4D_HUMAN | Q08499 | Phosphodiesterase 4D, Human | 2.1 | 0.43 | Binding ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 8500 | 0.25 | Functional ≤ 10μM |
| PDE4A_HUMAN | P27815 | Phosphodiesterase 4A, Human | 14 | 0.39 | Functional ≤ 10μM |
| PDE4B_HUMAN | Q07343 | Phosphodiesterase 4B, Human | 14 | 0.39 | Functional ≤ 10μM |
| PDE4C_HUMAN | Q08493 | Phosphodiesterase 4C, Human | 14 | 0.39 | Functional ≤ 10μM |
| PDE4D_HUMAN | Q08499 | Phosphodiesterase 4D, Human | 14 | 0.39 | Functional ≤ 10μM |
| Z100709 | Z100709 | Squirrel Monkey | 600 | 0.31 | Functional ≤ 10μM |
| Z80566 | Z80566 | U-937 (Histiocytic Lymphoma Cells) | 290 | 0.33 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| DARPP-32 events | |
| G alpha (s) signalling events |
