Compound Detail
CHEMBL4462484
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CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](F)(Br)[C@H]1O)Oc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4462484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTJBRLHJSDGEDC-QBVAKWEUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
594.3
MW (Da)
1.99
ALogP
10
HBA
3
HBD
158.2
PSA (Ų)
0.21
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-directed RNA polymerase CHEMBL4296320 | EC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-directed RNA polymerase | EC50 | = | 500.0 | nM | 6.3 | Inhibition of NS5B polymerase in wild type HCV genotype 1b infected in human Huh... | 30653317 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30653317 | 10.1021/acs.jmedchem.8b01300 | HepG2 | 5 |
| 30653317 | 10.1021/acs.jmedchem.8b01300 | RNA-directed RNA polymerase | 2 |
| 30653317 | 10.1021/acs.jmedchem.8b01300 | ADMET | 2 |
| 30653317 | 10.1021/acs.jmedchem.8b01300 | Huh-7 | 1 |
| 30653317 | 10.1021/acs.jmedchem.8b01300 | PBMC | 1 |
| 30653317 | 10.1021/acs.jmedchem.8b01300 | CCRF-CEM | 1 |
| 30653317 | 10.1021/acs.jmedchem.8b01300 | Vero | 1 |
Data from ChEMBL 36 via Core Engine