Viira, B.; Garcia-Sosa, A. T.; Maran, U. Chemical Structure and Correlation Analysis of HIV-1 NNRT and NRT Inhibitors and Database-Curated, Published Inhibition Constants with Chemical Structure in Diverse Datasets. J. Mol. Graph. Model. 2017, 76, 205-223.
Compound
| ID: | 45 | |
|---|---|---|
| Name: | 3'-Fluorothymidine-5'-triphosphate | |
| Description: | CHEMBL191725 | |
| Labels: | uracil, original_value | |
| CAS: | 40026-13-9 | |
| InChi Code: | InChI=1S/C10H16FN2O13P3/c1-5-3-13(10(15)12-9(5)14)8-2-6(11)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8H,2,4H2,1H3,(H,19,20)(H,21,22)(H,12,14,15)(H2,16,17,18) |
Properties
pKi: Antiviral binding affinity equilibrium constant as p(Ki) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 7.15 |
experimental value |
| 7.4442 |
Eq.3: Antiviral binding affinity for NRTIs (training) |