Compound Detail
CHEMBL3740596
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Basic Information
| ChEMBL ID | CHEMBL3740596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWCGLTCRJJFXKR-UHFFFAOYSA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
151.2
MW (Da)
2.45
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.75
IC50 1 meas. best 5.39
Ki 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
| Tyrosinase CHEMBL3318 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
| Taste receptor type 2 member 38 CHEMBL4523248 | EC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | Ki | = | 1200.0 | nM | 5.92 | Competitive inhibition of mushroom tyrosinase using L-tyrosine as substrate by L... | 26544630 |
| Tyrosinase | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of mushroom tyrosinase using L-tyrosine as substrate | 26544630 |
| Taste receptor type 2 member 38 | EC50 | = | 18000.0 | nM | 4.75 | Activity at human TAS2R38 expressed in HEK-293T-Galpha16-gustducin44 cells asses... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26544630 | 10.1016/j.ejmech.2015.10.033 | Tyrosinase | 7 |
| 26544630 | 10.1016/j.ejmech.2015.10.033 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine