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: | T12 | |
|---|---|---|
| Name: | CHEMBL3759428 | |
| Description: | ||
| Labels: | Train | |
| CAS: | ||
| InChi Code: | InChI=1S/C19H30N2O4/c1-2-3-4-5-6-7-8-9-10-17-13-21(19(25)20-18(17)24)12-11-16(14-22)15-23/h13,16,22-23H,2-8,11-12,14-15H2,1H3,(H,20,24,25) |
Properties
pIC50: Antiproliferative activity [-log(uM)] i
| Value | Source or prediction |
|---|---|
| 4.23 |
Meščić, A.; Harej, A.; Klobučar, M.; Glavač, D.; Cetina, M.; Pavelić, S. K.; Raić-Malić, S. Discovery of New Acid Ceramidase-Targeted Acyclic 5-Alkynyl and 5-Heteroaryl Uracil Nucleosides. ACS Medicinal Chemistry Letters 2015, 6, 1150–1155. https://doi.org/10.1021/acsmedchemlett.5b00298 |
| 4.05382 |
Eq.1: QSAR model for for antiproliferative activity for HeLa cells (Training set) |