Compound Detail
CHEMBL4111989
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C[C@@]1(C#N)[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1c1ccc2c(N)ncnn12
Basic Information
| ChEMBL ID | CHEMBL4111989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJHCDIOQIJXJLM-HNCHTBHHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
529.2
MW (Da)
-0.01
ALogP
13
HBA
6
HBD
269.3
PSA (Ų)
0.25
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL6040 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | IC50 | = | 3.0 | nM | 8.52 | Inhibition Assay: To measure inhibition of the enzymatic activity of the HCV NS5... | - |
Data from ChEMBL 36 via Core Engine