Compound Detail
CHEMBL203090
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Basic Information
| ChEMBL ID | CHEMBL203090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHRJHJUWDXGOIV-CHHVJCJISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
3.28
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of HCV genotype 1b J4 N-terminal His-tagged NS5Bdelta21 polymerase ex... | 21699179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21699179 | 10.1021/jm200242p | Unchecked | 2 |
| 38109811 | 10.1016/j.bmc.2023.117559 | Unchecked | 2 |
| 16392817 | 10.1021/jm050715i | Tyrosinase | 1 |
| 21699179 | 10.1021/jm200242p | Huh-7 | 1 |
| 21699179 | 10.1021/jm200242p | HEK293 | 1 |
| 38109811 | 10.1016/j.bmc.2023.117559 | Metallo-beta-lactamase type 2 | 1 |
Data from ChEMBL 36 via Core Engine