Compound Detail
CHEMBL3809951
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CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCc1cc(=O)c(O)c[nH]1
Basic Information
| ChEMBL ID | CHEMBL3809951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AAYWTVBJEHKFHL-YJBOKZPZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
0.41
ALogP
5
HBA
5
HBD
137.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | IC50 | 4.85 | 4.85 | 14260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 14260.0 | nM | 4.85 | Inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as ... | 27185329 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27185329 | 10.1016/j.bmcl.2016.05.006 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine