Karpavičienė, I.; Valiulienė, G.; Raškevičius, V.; Lebedytė, I.; Brukštus, A.; Kairys, V.; Navakauskienė, R.; Čikotienė, I. Synthesis and antiproliferative activity of α-branched α,β-unsaturated ketones in human hematological and solid cancer cell lines. Eur. J. Med. Chem. 2015, 98, 30–48.
Compound
| ID: | 6ad | |
|---|---|---|
| Name: | 4-[(1E)-2-[(E)-benzoyl]-4-methylidene-5-oxo-5-phenylpent-1-en-1-yl]phenyl benzoate | |
| Description: | ||
| Labels: | Set2 | |
| CAS: | ||
| InChi Code: | InChI=1S/C32H24O4/c1-23(30(33)25-11-5-2-6-12-25)21-28(31(34)26-13-7-3-8-14-26)22-24-17-19-29(20-18-24)36-32(35)27-15-9-4-10-16-27/h2-20,22H,1,21H2/b28-22+ |
Properties
NB4_pIC50: pIC50 data against the NB4 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 5.0969 |
experimental value |
| 5.2597 |
Eq4: Activity against NB4 with Set 2 (Training set) |
A549_pIC50: pIC50 data against the A549 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 4.3526 |
experimental value |
| 4.4811 |
Eq5: Activity against A549 with Set 2 (Training set) |
MCF7_pIC50: pIC50 data against the MCF7 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 4.2104 |
experimental value |
| 4.1742 |
Eq6: Activity against MCF-7 with Set 2 (Training set) |