Compound Detail
CHEMBL1269400
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Basic Information
| ChEMBL ID | CHEMBL1269400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWEMRPGKBWBOSQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
242.3
MW (Da)
3.16
ALogP
4
HBA
1
HBD
50.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.59 | 4.59 | 25750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 190.0 | nM | 6.72 | Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis | 20934336 |
| RAW264.7 | IC50 | = | 25750.0 | nM | 4.59 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 20934336 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20934336 | 10.1016/j.bmcl.2010.09.042 | RAW264.7 | 2 |
| 20934336 | 10.1016/j.bmcl.2010.09.042 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine