Table 5.
Properties of Leishmania CRK3–CYC6 inhibitors.[a]
| Compd | Mr [Da] | log P[b] | log D[c] | HBD[d] | HBA[e] | PSA[f] | HIA[g] |
|---|---|---|---|---|---|---|---|
| 11 | 306 | 4.5 | 4.5 | 2 | 4 | 58 | + |
| 46 | 348 | 4.6 | 4.6 | 1 | 5 | 64 | + |
| 50 | 258 | 3.2 | 3.2 | 2 | 4 | 58 | + |
| 56 | 340 | 3.1 | 3.1 | 2 | 5 | 67 | + |
[a]
Properties were calculated using the StarDrop software package (http://www.optibrium.com/stardrop.php).
[b]
Partition coefficient.
[c]
Partition coefficient at pH 7.2.
[d]
Number of hydrogen bond donors.
[e]
Number of hydrogen bond acceptors.
[f]
Polar surface area.
[g]
Prediction of human intestinal absorption sufficient for an orally dosed drug.