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: | 3df | |
|---|---|---|
| Name: | (2E)-2-(cyclohexylmethylidene)-3-(4-methoxyphenyl)-3-oxopropyl benzoate | |
| Description: | ||
| Labels: | Set1 | |
| CAS: | ||
| InChi Code: | InChI=1S/C24H26O4/c1-27-22-14-12-19(13-15-22)23(25)21(16-18-8-4-2-5-9-18)17-28-24(26)20-10-6-3-7-11-20/h3,6-7,10-16,18H,2,4-5,8-9,17H2,1H3/b21-16+ |
Properties
NB4_pIC50: pIC50 data against the NB4 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 4.9914 |
experimental value |
| 4.8121 |
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 |
|---|---|
| 4.4437 |
experimental value |
| 4.4748 |
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 |
|---|---|
| 4.8633 |
experimental value |
| 4.9574 |
Eq3: Activity against MCF-7 with Set 1 (Training set) |