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: | 6dc | |
|---|---|---|
| Name: | (4E)-1,5-bis(4-methoxyphenyl)-2-methylidene-4-[(4-methylphenyl)methylidene]pentane-1,5-dione | |
| Description: | ||
| Labels: | Set2 | |
| CAS: | ||
| InChi Code: | InChI=1S/C28H26O4/c1-19-5-7-21(8-6-19)18-24(28(30)23-11-15-26(32-4)16-12-23)17-20(2)27(29)22-9-13-25(31-3)14-10-22/h5-16,18H,2,17H2,1,3-4H3/b24-18+ |
Properties
NB4_pIC50: pIC50 data against the NB4 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 4.9431 |
experimental value |
| 4.9744 |
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 |
|---|---|
| 4.3585 |
experimental value |
| 4.4046 |
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 |
|---|---|
| 4.5702 |
experimental value |
| 4.4782 |
Eq6: Activity against MCF-7 with Set 2 (Training set) |