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: | 28 | |
|---|---|---|
| Name: | 3,5,8-trihydroxy-1H-quinolin-4-one | |
| Description: | CHEMBL153724, chemical names origin from Pubchem, when ever possible systematic names are provided | |
| Labels: | pyridine, original_value | |
| CAS: | ||
| InChi Code: | InChI=1S/C9H7NO4/c11-4-1-2-5(12)8-7(4)9(14)6(13)3-10-8/h1-3,11-13H,(H,10,14) |
Properties
pKi: Antiviral binding affinity equilibrium constant as p(Ki) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 6.31 |
experimental value |
| 6.1124 |
Eq.1: Antiviral binding affinity for NNRTIs (training) |