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: | 37 | |
|---|---|---|
| Name: | 1-[(1R)-1-cyclohexylethyl]-3-(1,3-thiazol-2-yl)thiourea | |
| Description: | CHEMBL417737, chemical names origin from Pubchem, when ever possible systematic names are provided | |
| Labels: | thiazole, original_value | |
| CAS: | ||
| InChi Code: | InChI=1S/C12H19N3S2/c1-9(10-5-3-2-4-6-10)14-11(16)15-12-13-7-8-17-12/h7-10H,2-6H2,1H3,(H2,13,14,15,16) |
Properties
pKi: Antiviral binding affinity equilibrium constant as p(Ki) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.92 |
experimental value |
| 5.485 |
Eq.1: Antiviral binding affinity for NNRTIs (training) |