Compound Detail
CHEMBL271859
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Basic Information
| ChEMBL ID | CHEMBL271859 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTXJEYAMFKSOIY-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
0.61
ALogP
4
HBA
2
HBD
67.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.95
Ki 1 meas. best 4.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.95 | 4.95 | 11150.0 | 1 |
| Tyrosinase CHEMBL3318 | IC50 | 4.15 | 4.15 | 70120.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.06 | 4.06 | 87000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 11150.0 | nM | 4.95 | Inhibition of MCP1-induced chemotaxis in mouse RAW264.7 cells | 19904929 |
| Tyrosinase | IC50 | = | 70120.0 | nM | 4.15 | Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate... | 24857777 |
| Unchecked | Ki | = | 87000.0 | nM | 4.06 | Inhibition of Escherichia coli methionine aminopeptidase 1 | 18343108 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19904929 | 10.1021/jm901183d | Mus musculus | 3 |
| 19904929 | 10.1021/jm901183d | RAW264.7 | 2 |
| 18343108 | 10.1016/j.bmcl.2008.02.066 | Unchecked | 1 |
| 18343108 | 10.1016/j.bmcl.2008.02.066 | Methionine aminopeptidase 1 | 1 |
| 24857777 | 10.1016/j.bmc.2014.04.060 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine