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: | 65 | |
|---|---|---|
| Name: | Zalcitabine | |
| Description: | CHEMBL853 | |
| Labels: | pyrimidione, original_value | |
| CAS: | 7481-89-2 | |
| InChi Code: | InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14) |
Properties
pKi: Antiviral binding affinity equilibrium constant as p(Ki) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 7.29 |
experimental value |
| 6.7699 |
Eq.3: Antiviral binding affinity for NRTIs (training) |