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: | T28 | |
|---|---|---|
| Name: | CHEMBL388691 | |
| Description: | ||
| Labels: | Train | |
| CAS: | ||
| InChi Code: | InChI=1S/C30H28N2O6/c1-2-3-14-24-17-23-18-32(30(34)31-28(23)37-24)16-15-25-26(35-19-21-10-6-4-7-11-21)27(29(33)38-25)36-20-22-12-8-5-9-13-22/h4-13,15,17-18H,2-3,14,16,19-20H2,1H3/b25-15- |
Properties
pIC50: Antiproliferative activity [-log(uM)] i
| Value | Source or prediction |
|---|---|
| 4.77 |
Gazivoda, T.; Šokčević, M.; Kralj, M.; Šuman, L.; Pavelić, K.; De Clercq, E.; Andrei, G.; Snoeck, R.; Balzarini, J.; Mintas, M.; Raić-Malić, S. Synthesis and Antiviral and Cytostatic Evaluations of the New C-5 Substituted Pyrimidine and Furo[2,3-d]pyrimidine 4‘,5‘-Didehydro-L-ascorbic Acid Derivatives. Journal of Medicinal Chemistry 2007, 50, 4105–4112. http://dx.doi.org/10.1021/jm070324z |
| 4.77724 |
Eq.1: QSAR model for for antiproliferative activity for HeLa cells (Training set) |