Compound Detail
CHEMBL201626
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Basic Information
| ChEMBL ID | CHEMBL201626 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACGXIFQKQYZLOU-ACAGNQJTSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
270.2
MW (Da)
2.42
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.01 | 5.01 | 9700.0 | 1 |
| Tyrosinase CHEMBL1973 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
| Tyrosinase CHEMBL3318 | IC50 | 4.41 | 4.41 | 38700.0 | 1 |
| Hepatitis C virus CHEMBL379 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9700.0 | nM | 5.01 | Inhibition of HCV genotype 1b J4 N-terminal His-tagged NS5Bdelta21 polymerase ex... | 21699179 |
| Tyrosinase | IC50 | = | 38000.0 | nM | 4.42 | Inhibitory activity against tyrosinase in human melanocytes | 16392817 |
| Tyrosinase | IC50 | = | 38700.0 | nM | 4.41 | Inhibition of mushroom tyrosinase | 29763564 |
| Hepatitis C virus | IC50 | = | 40000.0 | nM | 4.4 | Antiviral activity against HCV JFH-1 assessed as inhibition of viral replication... | 21699179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16392817 | 10.1021/jm050715i | Tyrosinase | 8 |
| 20392544 | 10.1016/j.ejmech.2010.03.023 | NAD(P)H dehydrogenase [quinone] 1 | 3 |
| 22718431 | 10.1002/ps.3339 | Brassica rapa subsp. oleifera | 3 |
| 38109811 | 10.1016/j.bmc.2023.117559 | Unchecked | 2 |
| 20392544 | 10.1016/j.ejmech.2010.03.023 | ADMET | 2 |
| 21699179 | 10.1021/jm200242p | Unchecked | 2 |
| 29763564 | 10.1021/acs.jmedchem.7b00967 | Tyrosinase | 2 |
| 22718431 | 10.1002/ps.3339 | Echinochloa crus-galli | 2 |
| 21699179 | 10.1021/jm200242p | HEK293 | 1 |
| 38109811 | 10.1016/j.bmc.2023.117559 | Metallo-beta-lactamase type 2 | 1 |
| 38052378 | 10.1016/j.bmcl.2023.129574 | Pancreatic triacylglycerol lipase | 1 |
| 30665143 | 10.1016/j.ejmech.2019.01.022 | Pseudomonas aeruginosa | 1 |
| 30665143 | 10.1016/j.ejmech.2019.01.022 | Staphylococcus aureus | 1 |
| 21699179 | 10.1021/jm200242p | Huh-7 | 1 |
| 21699179 | 10.1021/jm200242p | Hepatitis C virus | 1 |
| 20392544 | 10.1016/j.ejmech.2010.03.023 | Aryl hydrocarbon receptor | 1 |
| 16392817 | 10.1021/jm050715i | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine