Compound Detail
CHEMBL4867541
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Basic Information
| ChEMBL ID | CHEMBL4867541 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQOGSTGLRLMQOV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
196.2
MW (Da)
2.40
ALogP
4
HBA
1
HBD
72.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mushroom tyrosinase CHEMBL6066154 | IC50 | 5.62 | 5.43 | 2410.0 | 2 |
| Proteasome subunit beta type-8 CHEMBL5620 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mushroom tyrosinase | IC50 | = | 2410.0 | nM | 5.62 | Inhibition of mushroom tyrosinase using L-tyrosine as substrate incubated for 30... | 39002182 |
| Mushroom tyrosinase | IC50 | = | 5810.0 | nM | 5.24 | Inhibition of mushroom tyrosinase using L-DOPA as substrate incubated for 30 min... | 39002182 |
| Proteasome subunit beta type-8 | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of human chymotrypsin-like beta 5i subunit of iCP using suc-LLVY-AMC ... | 33894528 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33894528 | 10.1016/j.ejmech.2021.113455 | ADMET | 4 |
| 39002182 | 10.1016/j.bmc.2024.117832 | HaCaT | 3 |
| 39002182 | 10.1016/j.bmc.2024.117832 | Mushroom tyrosinase | 2 |
| 39002182 | 10.1016/j.bmc.2024.117832 | B16-F10 | 2 |
| 39002182 | 10.1016/j.bmc.2024.117832 | No relevant target | 2 |
| 33894528 | 10.1016/j.ejmech.2021.113455 | Proteasome subunit beta type-8 | 1 |
Data from ChEMBL 36 via Core Engine