Compound Detail
CHEMBL5412546
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Basic Information
| ChEMBL ID | CHEMBL5412546 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDMQPURWPBXEMP-XGICHPGQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
286.2
MW (Da)
2.13
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL1973 | IC50 | 4.93 | 4.93 | 11800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 11800.0 | nM | 4.93 | Inhibition of tyrosinase in human MNT-1 cell lysates using L-DOPA as substrate a... | 36462443 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38109811 | 10.1016/j.bmc.2023.117559 | Unchecked | 2 |
| 36462443 | 10.1016/j.ejmech.2022.114972 | Tyrosinase | 1 |
| 38109811 | 10.1016/j.bmc.2023.117559 | Metallo-beta-lactamase type 2 | 1 |
Data from ChEMBL 36 via Core Engine