Compound Detail
CHEMBL186863
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Basic Information
| ChEMBL ID | CHEMBL186863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AATWPLNNZKLWEK-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
242.2
MW (Da)
2.66
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.28
EC50 1 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Danio rerio CHEMBL613963 | EC50 | 6.32 | 6.32 | 480.0 | 1 |
| Tyrosinase CHEMBL1973 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Danio rerio | EC50 | = | 480.0 | nM | 6.32 | Lipid lowering activity in zebrafish embryos by Nile red fat metabolism assay | 29626799 |
| Tyrosinase | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of Tyrosinase (unknown origin) using tyrosine as substrate incubated ... | 33242700 |
| Amine oxidase [flavin-containing] A | IC50 | = | 18000.0 | nM | 4.75 | Concentration required to inhibit monoamine oxidase activity by 50% | 15482934 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29626799 | 10.1016/j.ejmech.2018.03.036 | Danio rerio | 3 |
| 33242700 | 10.1016/j.bmc.2020.115873 | Unchecked | 3 |
| 29626799 | 10.1016/j.ejmech.2018.03.036 | 3T3-L1 | 2 |
| 33242700 | 10.1016/j.bmc.2020.115873 | Tyrosinase | 2 |
| 15482934 | 10.1016/j.bmcl.2004.08.066 | Amine oxidase [flavin-containing] A | 1 |
Data from ChEMBL 36 via Core Engine