Table 3.
Drugs selected for validation in 3D Cyst experiment and their results.
| PubChem CID | Drug name | Targets (pChEMBL valuea) | Results in 3D cyst assay | ATC code (Level 4) |
|---|---|---|---|---|
| 49,836,020 | Birinapant | BIRC2 (7.3) | Effective | n/a |
| 5,280,933 | Gamma-Linolenic acid (Gamolenic Acid) | PPARD (6.1) | Effective | D11AX |
| 446,284 | Eicosapentaenoic acid (Icosapent) | PPARD (5.4) | Effective | n/a |
| 4037 | Meclofenamic Acid | AKR1C3 (6.3), AKR1C1 (5.5), AKR1C2 (5.1) | Effective | M01AG |
| 60,490 | Zileuton | ALOX5AP (5.5) | Not effective | n/a |
| 3715 | Indometacin | AKR1C3 (6.2) , PTGES (4.4) , AKR1C2 (4.3) | Not effective | C01EB |
| M01AB | ||||
| M02AA | ||||
| S01BC |
a
pChEMBL is a combination of a number of roughly comparable measures of half-maximal response concentration/potency/affinity to be compared on a negative logarithmic scale: -Log(molar IC50, XC50, EC50, AC50, Ki, Kd or Potency). We have tested compounds at 100 μM (pCHEMBL value 4). We have selected targets for which the affinity was a pCHEMBL value > 4.0.