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: | 5df | |
|---|---|---|
| Name: | (1R)-1-cyclohexyl-3-(4-methoxyphenyl)-2-methylidene-3-oxopropyl benzoate | |
| Description: | ||
| Labels: | Set2 | |
| CAS: | ||
| InChi Code: | InChI=1S/C24H26O4/c1-17(22(25)18-13-15-21(27-2)16-14-18)23(19-9-5-3-6-10-19)28-24(26)20-11-7-4-8-12-20/h4,7-8,11-16,19,23H,1,3,5-6,9-10H2,2H3/t23-/m0/s1 |
Properties
NB4_pIC50: pIC50 data against the NB4 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 5 |
experimental value |
| 4.9641 |
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 |
|---|---|
| 4.2069 |
experimental value |
| 4.0344 |
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 |
|---|---|
| 4.4647 |
experimental value |
| 4.6280 |
Eq6: Activity against MCF-7 with Set 2 (Training set) |