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: | 3if | |
|---|---|---|
| Name: | N-[(2E)-2-(cyclohexylmethylidene)-3-(4-methoxyphenyl)-3-oxopropyl]-N-methylbenzamide | |
| Description: | ||
| Labels: | Set1 | |
| CAS: | ||
| InChi Code: | InChI=1S/C25H29NO3/c1-26(25(28)21-11-7-4-8-12-21)18-22(17-19-9-5-3-6-10-19)24(27)20-13-15-23(29-2)16-14-20/h4,7-8,11-17,19H,3,5-6,9-10,18H2,1-2H3/b22-17+ |
Properties
NB4_pIC50: pIC50 data against the NB4 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 4.4012 |
experimental value |
| 4.4522 |
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 |
|---|---|
| 4.1568 |
experimental value |
| 4.1853 |
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 |
|---|---|
| 4.4855 |
experimental value |
| 4.5956 |
Eq3: Activity against MCF-7 with Set 1 (Training set) |