Compound Detail
CHEMBL1807492
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Basic Information
| ChEMBL ID | CHEMBL1807492 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYJHNOWKRFWJRW-UUASQNMZSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
2.72
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL1973 | IC50 | 5.16 | 5.16 | 6900.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 5.06 | 4.61 | 8800.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 6900.0 | nM | 5.16 | Inhibition of tyrosinase in human MNT-1 cell lysates using L-DOPA as substrate a... | 36462443 |
| RAW264.7 | IC50 | = | 8800.0 | nM | 5.06 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 21723122 |
| RAW264.7 | IC50 | = | 20180.0 | nM | 4.7 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 21723122 |
| RAW264.7 | IC50 | = | 85830.0 | nM | 4.07 | Cytotoxicity against mouse RAW264.7 cells after 24 hrs by MTT assay | 21723122 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21723122 | 10.1016/j.bmcl.2011.05.117 | RAW264.7 | 3 |
| 36462443 | 10.1016/j.ejmech.2022.114972 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine