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: | 6bg | |
|---|---|---|
| Name: | (4E)-1,5-bis(4-methoxyphenyl)-2-methylidene-4-(phenylmethylidene)pentane-1,5-dione | |
| Description: | ||
| Labels: | Set2 | |
| CAS: | ||
| InChi Code: | InChI=1S/C27H24O4/c1-19(26(28)21-9-13-24(30-2)14-10-21)17-23(18-20-7-5-4-6-8-20)27(29)22-11-15-25(31-3)16-12-22/h4-16,18H,1,17H2,2-3H3/b23-18+ |
Properties
NB4_pIC50: pIC50 data against the NB4 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 5.1308 |
experimental value |
| 5.0145 |
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 |
|---|---|
| 4.6402 |
experimental value |
| 4.5834 |
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 |
|---|---|
| 4.567 |
experimental value |
| 4.5772 |
Eq6: Activity against MCF-7 with Set 2 (Training set) |