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: | 3hb | |
|---|---|---|
| Name: | (2E)-2-(cyclohexylmethyl)-3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one | |
| Description: | ||
| Labels: | Set1 | |
| CAS: | ||
| InChi Code: | InChI=1S/C23H24Cl2O2/c1-27-21-11-8-17(9-12-21)23(26)19(13-16-5-3-2-4-6-16)14-18-7-10-20(24)15-22(18)25/h7-12,14-16H,2-6,13H2,1H3/b19-14+ |
Properties
NB4_pIC50: pIC50 data against the NB4 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 4.3107 |
experimental value |
| 4.6706 |
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 |
experimental value |
| 4.0041 |
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 |
experimental value |
| 4.1376 |
Eq3: Activity against MCF-7 with Set 1 (Training set) |