Compound Detail
CHEMBL24152
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O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1cc(=O)c(O)co1)OCc1cc(=O)c(O)co1
Basic Information
| ChEMBL ID | CHEMBL24152 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRHWKFZWBASRKV-INIZCTEOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
457.4
MW (Da)
1.59
ALogP
10
HBA
3
HBD
165.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL1973 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 60.0 | nM | 7.22 | Compound was evaluated for inhibition of tyrosinase enzyme. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00221-1 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine