Table 5.
ADME-Tox study
| Compound | Oral bioavailability | Pharmacokinetic properties | LogKp (Skin permeation) (cm/s) | Water solubility | Lipinski GhoseVeber (pass(Y)/fail (N)) | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| MW | cLogP | HBA | HBD | RB | TPSA (Å2) | B-Score | |||||
| A104 | 309.36 | 2.14 | 3 | 1 | 2 | 60.05 | 0.55 | GI Absorption high | − 6.81 | Soluble | Y/Y/Y |
| A166 | 448.38 | 0.16 | 11 | 7 | 3 | 190.28 | 0.17 | GI Absorption low | − 8.42 | Soluble | N/Y/N |
MW: Molecular weight in g/mol; cLogP: Consensus Lipophilicity Score; HBA: H-bond Acceptor; HBD: H-bond donor; RB: No. of rotatable bonds; TPSA: Topological Polar Surface Area; B-score: Bioavailability score; Lipinski /Ghose/Veber: Rules of Drug Discovery