Compound Detail
CHEMBL2413822
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Basic Information
| ChEMBL ID | CHEMBL2413822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAWPKHNOFIWWNZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
133.2
MW (Da)
1.87
ALogP
1
HBA
2
HBD
36.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL1973 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 22000.0 | nM | 4.66 | Inhibition of human HMV-II cell derived tyrosinase using DOPA as substrate incub... | 32787103 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24411196 | 10.1016/j.bmc.2013.12.040 | NON-PROTEIN TARGET | 3 |
| 23777828 | 10.1016/j.bmc.2013.05.044 | NON-PROTEIN TARGET | 2 |
| - | 10.1039/C2MD20287E | Radical scavenging activity | 1 |
| 32787103 | 10.1021/acs.jmedchem.0c00994 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine