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: | T11 | |
|---|---|---|
| Name: | CHEMBL3758366 | |
| Description: | ||
| Labels: | Train | |
| CAS: | ||
| InChi Code: | InChI=1S/C18H20N2O4/c21-12-15(13-22)9-10-20-11-16(17(23)19-18(20)24)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,11,15,21-22H,7,9-10,12-13H2,(H,19,23,24) |
Properties
pIC50: Antiproliferative activity [-log(uM)] i
| Value | Source or prediction |
|---|---|
| 4.2 |
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 |
| 4.35144 |
Eq.1: QSAR model for for antiproliferative activity for HeLa cells (Training set) |