Compound Detail
CHEMBL1814434
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Basic Information
| ChEMBL ID | CHEMBL1814434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVRNOEWVWZHYDM-MLPAPPSSSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
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 6 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.58 | 5.125 | 2600.0 | 4 |
| Tyrosinase CHEMBL3318 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Tyrosinase CHEMBL1973 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of HCV genotype 1b J4 N-terminal His-tagged NS5Bdelta21 polymerase ex... | 21699179 |
| Tyrosinase | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of Agaricus bisporus tyrosinase using L-DOPA as substrate incubated f... | 36126323 |
| Unchecked | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of Streptomyces antibioticus tyrosinase using L-DOPA as substrate inc... | 36126323 |
| Unchecked | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of mushroom TyM1 preincubated for 5 mins followed by addition of L-DO... | 28105275 |
| Tyrosinase | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of tyrosinase in human MNT-1 cell lysates using L-DOPA as substrate a... | 36462443 |
| Unchecked | IC50 | = | 34000.0 | nM | 4.47 | Inhibition of Polyporus arcularius tyrosinase using L-DOPA as substrate incubate... | 36126323 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21699179 | 10.1021/jm200242p | Unchecked | 2 |
| 36126323 | 10.1021/acs.jmedchem.2c01150 | Unchecked | 2 |
| 21699179 | 10.1021/jm200242p | Huh-7 | 1 |
| 21699179 | 10.1021/jm200242p | HEK293 | 1 |
| 28105275 | 10.1021/acsmedchemlett.6b00369 | Unchecked | 1 |
| 36126323 | 10.1021/acs.jmedchem.2c01150 | Tyrosinase | 1 |
| 36462443 | 10.1016/j.ejmech.2022.114972 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine