Compound Detail
CHEMBL199975
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Basic Information
| ChEMBL ID | CHEMBL199975 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQVXEALGEXVSCF-JYRVWZFOSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
254.2
MW (Da)
2.71
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
| Hepatitis C virus CHEMBL379 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
| Tyrosinase CHEMBL1973 | IC50 | 4.5 | 4.5 | 31700.0 | 1 |
| Tyrosinase CHEMBL3318 | IC50 | 4.5 | 4.5 | 31700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5900.0 | nM | 5.23 | Inhibition of HCV genotype 1b J4 N-terminal His-tagged NS5Bdelta21 polymerase ex... | 21699179 |
| Hepatitis C virus | IC50 | = | 18000.0 | nM | 4.75 | Antiviral activity against HCV JFH-1 assessed as inhibition of viral replication... | 21699179 |
| Tyrosinase | IC50 | = | 31700.0 | nM | 4.5 | Inhibitory activity against tyrosinase in human melanocytes | 16392817 |
| Tyrosinase | IC50 | = | 31700.0 | nM | 4.5 | Inhibition of mushroom tyrosinase | 29763564 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21699179 | 10.1021/jm200242p | Unchecked | 3 |
| 21699179 | 10.1021/jm200242p | RNA-directed RNA polymerase | 3 |
| 16392817 | 10.1021/jm050715i | Tyrosinase | 2 |
| 29763564 | 10.1021/acs.jmedchem.7b00967 | Tyrosinase | 2 |
| 21699179 | 10.1021/jm200242p | Hepatitis C virus | 1 |
| 21699179 | 10.1021/jm200242p | Huh-7 | 1 |
| 21699179 | 10.1021/jm200242p | HEK293 | 1 |
| 30665143 | 10.1016/j.ejmech.2019.01.022 | Staphylococcus aureus | 1 |
| 30665143 | 10.1016/j.ejmech.2019.01.022 | Pseudomonas aeruginosa | 1 |
Data from ChEMBL 36 via Core Engine