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: | 5_dh | |
|---|---|---|
| Name: | 2-[(R)-hydroxy(4-nitrophenyl)methyl]-1-(4-methoxyphenyl)prop-2-en-1-one | |
| Description: | ||
| Labels: | Set2 | |
| CAS: | ||
| InChi Code: | InChI=1S/C17H15NO5/c1-11(17(20)13-5-9-15(23-2)10-6-13)16(19)12-3-7-14(8-4-12)18(21)22/h3-10,16,19H,1H2,2H3/t16-/m0/s1 |
Properties
NB4_pIC50: pIC50 data against the NB4 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 5.2676 |
experimental value |
| 5.3051 |
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 |
|---|---|
| 4.6234 |
experimental value |
| 4.7232 |
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 |
|---|---|
| 4.9586 |
experimental value |
| 5.0054 |
Eq6: Activity against MCF-7 with Set 2 (Training set) |