Compound Detail
CHEMBL1650602
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Basic Information
| ChEMBL ID | CHEMBL1650602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRCWSYYXUCKEED-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
139.1
MW (Da)
0.49
ALogP
3
HBA
2
HBD
70.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 3.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | IC50 | 3.8 | 3.8 | 159000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 159000.0 | nM | 3.8 | Inhibition of mushroom tyrosinase after 10 mins | 21189019 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21189019 | 10.1021/jm101266s | Tyrosinase | 2 |
| 21189019 | 10.1021/jm101266s | Matrix metalloproteinase-9 | 1 |
| 21189019 | 10.1021/jm101266s | Nitric oxide synthase, inducible | 1 |
| 21189019 | 10.1021/jm101266s | Neutrophil collagenase | 1 |
| 21189019 | 10.1021/jm101266s | Interstitial collagenase | 1 |
| 21189019 | 10.1021/jm101266s | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 21189019 | 10.1021/jm101266s | Lethal factor | 1 |
| 21189019 | 10.1021/jm101266s | Stromelysin-1 | 1 |
| 21189019 | 10.1021/jm101266s | 72 kDa type IV collagenase | 1 |
Data from ChEMBL 36 via Core Engine