Zukić, S.; Osmanović, A.; Harej, A.; Kraljević Pavelić, S.; Špirtović-Halilović, S.; Veljović, E.; Roca, S.; Trifunović, S.; Završnik, D.; Maran, U. Data driven modelling of substituted pyrimidine and uracil-based derivatives validated with newly synthesized and antiproliferative evaluated compounds. Int. J. Mol. Sci. 2024, 25, 9390
Compound
| ID: | V03 | |
|---|---|---|
| Name: | CHEMBL1835794 | |
| Description: | ||
| Labels: | Test | |
| CAS: | ||
| InChi Code: | InChI=1S/C25H30N2O5/c1-19-22(26-24(30-3)27-23(19)29-2)14-25(28,17-31-15-20-10-6-4-7-11-20)18-32-16-21-12-8-5-9-13-21/h4-13,28H,14-18H2,1-3H3 |
Properties
pIC50: Antiproliferative activity [-log(uM)] i
| Value | Source or prediction |
|---|---|
| 5.43 |
Gazivoda Kraljević, T.; Ilić, N.; Stepanić, V.; Sappe, L.; Petranović, J.; Kraljević Pavelić, S.; Raić-Malić, S. Synthesis and in vitro antiproliferative evaluation of novel N-alkylated 6-isobutyl- and propyl pyrimidine derivatives. Bioorganic & Medicinal Chemistry Letters 2014, 24, 2913–2917. http://dx.doi.org/10.1016/j.bmcl.2014.04.079 |
| 5.53404 |
Eq.1: QSAR model for for antiproliferative activity for HeLa cells (Test set) |