Compound Detail
CHEMBL402183
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Basic Information
| ChEMBL ID | CHEMBL402183 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSOJQSBHVKAHPC-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
232.2
MW (Da)
0.14
ALogP
4
HBA
3
HBD
95.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.85
Ki 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.4 | 5.4 | 4000.0 | 1 |
| Methionine aminopeptidase 1 CHEMBL2474 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
| Tyrosinase CHEMBL3318 | IC50 | 4.85 | 4.85 | 13980.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 4000.0 | nM | 5.4 | Inhibition of Escherichia coli methionine aminopeptidase 1 | 18343108 |
| Methionine aminopeptidase 1 | Ki | = | 10000.0 | nM | 5.0 | Inhibition of human methionine aminopeptidase 1 | 18343108 |
| Tyrosinase | IC50 | = | 13980.0 | nM | 4.85 | Inhibition of mushroom tyrosinase | 19552984 |
| Tyrosinase | IC50 | = | 13980.0 | nM | 4.85 | Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate... | 24857777 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19552984 | 10.1016/j.ejmech.2009.05.023 | Tyrosinase | 2 |
| 18343108 | 10.1016/j.bmcl.2008.02.066 | Unchecked | 1 |
| 18343108 | 10.1016/j.bmcl.2008.02.066 | Methionine aminopeptidase 1 | 1 |
| 19552984 | 10.1016/j.ejmech.2009.05.023 | Staphylococcus aureus | 1 |
| 19552984 | 10.1016/j.ejmech.2009.05.023 | Staphylococcus epidermidis | 1 |
| 19552984 | 10.1016/j.ejmech.2009.05.023 | Staphylococcus | 1 |
| 19552984 | 10.1016/j.ejmech.2009.05.023 | Bacillus cereus | 1 |
| 19552984 | 10.1016/j.ejmech.2009.05.023 | Escherichia coli | 1 |
| 19552984 | 10.1016/j.ejmech.2009.05.023 | Pseudomonas aeruginosa | 1 |
| 19904929 | 10.1021/jm901183d | RAW264.7 | 1 |
| 24361188 | 10.1016/j.bmc.2013.12.010 | Nakaseomyces glabratus | 1 |
| 24361188 | 10.1016/j.bmc.2013.12.010 | Candida albicans | 1 |
| 24857777 | 10.1016/j.bmc.2014.04.060 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine