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: | 3dl | |
|---|---|---|
| Name: | (2E)-2-[(2-chlorophenyl)methylidene]-3-(4-methoxyphenyl)-3-oxopropyl benzoate | |
| Description: | ||
| Labels: | Set1 | |
| CAS: | ||
| InChi Code: | InChI=1S/C24H19ClO4/c1-28-21-13-11-17(12-14-21)23(26)20(15-19-9-5-6-10-22(19)25)16-29-24(27)18-7-3-2-4-8-18/h2-15H,16H2,1H3/b20-15+ |
Properties
NB4_pIC50: pIC50 data against the NB4 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 5.1549 |
experimental value |
| 5.1385 |
Eq1: Activity against NB4 with Set 1 (Training set) |
A549_pIC50: pIC50 data against the A549 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 4.6968 |
experimental value |
| 4.5445 |
Eq2: Activity against A549 with Set 1 (Training set) |
MCF7_pIC50: pIC50 data against the MCF7 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 5.0458 |
experimental value |
| 4.7825 |
Eq3: Activity against MCF-7 with Set 1 (Training set) |