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: | 51 | |
|---|---|---|
| Name: | 2',3'-Dideoxyuridine-5'-triphosphate | |
| Description: | CHEMBL192371 | |
| Labels: | uracil, original_value | |
| CAS: | 84445-38-5 | |
| InChi Code: | InChI=1S/C9H15N2O13P3/c12-7-3-4-11(9(13)10-7)8-2-1-6(22-8)5-21-26(17,18)24-27(19,20)23-25(14,15)16/h3-4,6,8H,1-2,5H2,(H,17,18)(H,19,20)(H,10,12,13)(H2,14,15,16) |
Properties
pKi: Antiviral binding affinity equilibrium constant as p(Ki) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 6.26 |
experimental value |
| 6.9719 |
Eq.3: Antiviral binding affinity for NRTIs (training) |