Compound Detail
CHEMBL373249
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Basic Information
| ChEMBL ID | CHEMBL373249 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKNPFZQVNZFLIC-VQHVLOKHSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
240.3
MW (Da)
2.99
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.92 | 4.905 | 12000.0 | 2 |
| Tyrosinase CHEMBL1973 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of PMA-induce ROS/RNS generation in human neutrophils measured up to ... | 33006891 |
| Unchecked | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of PMA-induce ROS/RNS generation in human neutrophils measured up to ... | 33006891 |
| Tyrosinase | IC50 | = | 60000.0 | nM | 4.22 | Inhibition of tyrosinase in human MNT-1 cell lysates using L-DOPA as substrate a... | 36462443 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28655421 | 10.1016/j.bmcl.2017.01.053 | No relevant target | 2 |
| 33006891 | 10.1021/acs.jnatprod.0c00728 | Unchecked | 2 |
| 16202584 | 10.1016/j.bmcl.2005.08.087 | Unchecked | 1 |
| 16202584 | 10.1016/j.bmcl.2005.08.087 | Alpha-amylase | 1 |
| 16202584 | 10.1016/j.bmcl.2005.08.087 | Beta-amylase | 1 |
| 28655421 | 10.1016/j.bmcl.2017.01.053 | Xanthine dehydrogenase/oxidase | 1 |
| 33006891 | 10.1021/acs.jnatprod.0c00728 | Neutrophil | 1 |
| 36462443 | 10.1016/j.ejmech.2022.114972 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine