Phosphodiesterase 4A
Target ID: CHEMBL254
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| PAPAVERINE | COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC | Blood pressure: -23.0 mmHg |  |
| CIPAMFYLLINE | Nc1nc2c([nH]1)c(=O)n(CC1CC1)c(=O)n2CC1CC1 | Inhibition: 5.0 % |  |
| ZAPRINAST | CCCOc1ccccc1-c1nc2[nH]nnc2c(=O)[nH]1 | IC50: 1750000.0 nM |  |
| TADALAFIL | CN1CC(=O)N2[C@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@@H]2C1=O | IC50: 6.7 nM |  |
| SILDENAFIL | CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12 | Pc: 87000000.0 cm s-1 |  |
| CILOMILAST | COc1ccc([C@]2(C#N)CC[C@@H](C(=O)O)CC2)cc1OC1CCCC1 | IC50: 100.0 nM |  |
| ROLIPRAM | COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1 | IC50: 1000.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [3*]O[3*] | 5.25 | 156 |  |
| [3*]OC | 6.5 | 117 |  |
| [16*]c1ccc([16*])c([16*])c1 | 6.5 | 117 |  |
| [8*]C[8*] | None | 78 |  |
| [15*]C1CCCC1 | 6.5 | 78 |  |