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: | 7bc | |
|---|---|---|
| Name: | (2E)-3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)prop-2-en-1-one | |
| Description: | ||
| Labels: | Set1 | |
| CAS: | ||
| InChi Code: | InChI=1S/C21H21Cl2NO3/c1-26-19-6-3-15(4-7-19)21(25)17(14-24-8-10-27-11-9-24)12-16-2-5-18(22)13-20(16)23/h2-7,12-13H,8-11,14H2,1H3/b17-12+ |
Properties
NB4_pIC50: pIC50 data against the NB4 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 5.0706 |
experimental value |
| 4.8073 |
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 |
| 4.0783 |
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 |
|---|---|
| 4.3737 |
experimental value |
| 4.4595 |
Eq3: Activity against MCF-7 with Set 1 (Training set) |