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: | 53 | |
|---|---|---|
| Name: | [(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]oxy-N-[hydroxy(phosphonooxy)phosphoryl]phosphonamidic acid | |
| Description: | CHEMBL1160257, chemical names origin from Pubchem, when ever possible systematic names are provided | |
| Labels: | uracil, original_value | |
| CAS: | ||
| InChi Code: | InChI=1S/C9H16N3O13P3/c1-4-3-12(9(15)10-7(4)14)6-2-5(13)8(23-6)24-26(16,17)11-27(18,19)25-28(20,21)22/h3,5-6,8,13H,2H2,1H3,(H,10,14,15)(H2,20,21,22)(H3,11,16,17,18,19) |
Properties
pKi: Antiviral binding affinity equilibrium constant as p(Ki) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 5.62 |
experimental value |
| 4.954 |
Eq.3: Antiviral binding affinity for NRTIs (training) |