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: | V19 | |
|---|---|---|
| Name: | CHEMBL3758473 | |
| Description: | ||
| Labels: | Test | |
| CAS: | ||
| InChi Code: | InChI=1S/C29H28N2O7/c1-21(32)37-19-24(20-38-22(2)33)16-17-30-18-26(15-9-12-23-10-5-3-6-11-23)28(35)31(29(30)36)27(34)25-13-7-4-8-14-25/h3-8,10-11,13-14,18,24H,12,16-17,19-20H2,1-2H3 |
Properties
pIC50: Antiproliferative activity [-log(uM)] i
| Value | Source or prediction |
|---|---|
| 4.52 |
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. http://dx.doi.org/10.1021/acsmedchemlett.5b00298 |
| 4.34898 |
Eq.1: QSAR model for for antiproliferative activity for HeLa cells (Test set) |