Compound Detail
CHEMBL3409828
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Basic Information
| ChEMBL ID | CHEMBL3409828 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWYAWXOPZHKJFX-GIDUJCDVSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
411.9
MW (Da)
5.35
ALogP
3
HBA
1
HBD
63.2
PSA (Ų)
0.44
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.59
IC50 1 meas. best 4.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | EC50 | 4.59 | 4.59 | 25800.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.36 | 4.36 | 43300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | EC50 | = | 25800.0 | nM | 4.59 | Activation of mushroom tyrosinase using L-tyrosine as substrate preincubated for... | 27622747 |
| HepG2 | IC50 | = | 43300.0 | nM | 4.36 | Cytotoxicity against human HepG2 cells assessed as surviving fraction ratio afte... | 25618015 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25618015 | 10.1016/j.ejmech.2015.01.036 | HepG2 | 5 |
| 27592395 | 10.1016/j.ejmech.2016.08.042 | Molecular identity unknown | 1 |
| 27622747 | 10.1016/j.bmc.2016.08.066 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine