Compound Detail
CHEMBL390625
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Basic Information
| ChEMBL ID | CHEMBL390625 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUKYJMFNAHUPKE-BJMVGYQFSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
195.2
MW (Da)
0.56
ALogP
3
HBA
3
HBD
70.6
PSA (Ų)
0.37
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
| Tyrosinase CHEMBL3318 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
| B16 CHEMBL381 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 530.0 | nM | 6.28 | Inhibition of pieris rapae Phenoloxidase | 17258462 |
| Tyrosinase | IC50 | = | 3900.0 | nM | 5.41 | Inhibition of mushroom tyrosinase using L-dopa as substrate preincubated for 10 ... | 31015905 |
| B16 | IC50 | = | 24000.0 | nM | 4.62 | Inhibition of melanogenesis in mouse B16 cells | 20863702 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17258462 | 10.1016/j.bmc.2006.12.038 | Unchecked | 2 |
| 20863702 | 10.1016/j.bmcl.2010.08.114 | B16 | 2 |
| 31015905 | 10.1039/C9MD00005D | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine