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: | 6ac | |
|---|---|---|
| Name: | (4E)-2-methylidene-4-[(4-methylphenyl)methylidene]-1,5-diphenylpentane-1,5-dione | |
| Description: | ||
| Labels: | Set2 | |
| CAS: | ||
| InChi Code: | InChI=1S/C26H22O2/c1-19-13-15-21(16-14-19)18-24(26(28)23-11-7-4-8-12-23)17-20(2)25(27)22-9-5-3-6-10-22/h3-16,18H,2,17H2,1H3/b24-18+ |
Properties
NB4_pIC50: pIC50 data against the NB4 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 5.1192 |
experimental value |
| 5.1442 |
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 |
|---|---|
| 4.6799 |
experimental value |
| 4.7752 |
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 |
|---|---|
| 4.7986 |
experimental value |
| 4.7560 |
Eq6: Activity against MCF-7 with Set 2 (Training set) |