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: | V13 | |
|---|---|---|
| Name: | CHEMBL3759720 | |
| Description: | ||
| Labels: | Test | |
| CAS: | ||
| InChi Code: | InChI=1S/C27H32N2O7/c1-4-5-6-7-9-14-24-17-28(16-15-22(18-35-20(2)30)19-36-21(3)31)27(34)29(26(24)33)25(32)23-12-10-8-11-13-23/h8,10-13,17,22H,4-7,15-16,18-19H2,1-3H3 |
Properties
pIC50: Antiproliferative activity [-log(uM)] i
| Value | Source or prediction |
|---|---|
| 4.27 |
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 |
| 4.22686 |
Eq.1: QSAR model for for antiproliferative activity for HeLa cells (Test set) |