Compound Detail
CHEMBL3343986
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Basic Information
| ChEMBL ID | CHEMBL3343986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDKQCSKOPQSGQA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
312.3
MW (Da)
2.26
ALogP
4
HBA
5
HBD
105.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL1973 | IC50 | 5.04 | 5.04 | 9100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 9100.0 | nM | 5.04 | Inhibition of tyrosinase in human HMV-2 melanoma cells after 5 mins by spectroph... | 25288494 |
| Tyrosinase | IC50 | = | 9100.0 | nM | 5.04 | Inhibition of human HMV-II cell derived tyrosinase using DOPA as substrate incub... | 32787103 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25288494 | 10.1016/j.bmc.2014.08.027 | Tyrosinase | 2 |
| 32787103 | 10.1021/acs.jmedchem.0c00994 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine