Compound Detail
CHEMBL1807311
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Basic Information
| ChEMBL ID | CHEMBL1807311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKRZQRDYRUVFAW-RZNTYIFUSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
270.2
MW (Da)
2.42
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL1973 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.73 | 4.73 | 18620.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.1 | 4.1 | 79250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 6400.0 | nM | 5.19 | Inhibition of tyrosinase in human MNT-1 cell lysates using L-DOPA as substrate a... | 36462443 |
| RAW264.7 | IC50 | = | 18620.0 | nM | 4.73 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 21723122 |
| Unchecked | IC50 | = | 79250.0 | nM | 4.1 | Inhibition of baker's yeast alpha-glucosidase incubated for 30 mins using p-nitr... | 28651984 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21723122 | 10.1016/j.bmcl.2011.05.117 | RAW264.7 | 3 |
| 38109811 | 10.1016/j.bmc.2023.117559 | Unchecked | 2 |
| 28105275 | 10.1021/acsmedchemlett.6b00369 | Unchecked | 1 |
| 28651984 | 10.1016/j.bmcl.2017.06.040 | Unchecked | 1 |
| 36462443 | 10.1016/j.ejmech.2022.114972 | Tyrosinase | 1 |
| 38109811 | 10.1016/j.bmc.2023.117559 | Metallo-beta-lactamase type 2 | 1 |
Data from ChEMBL 36 via Core Engine