Compound Detail
CHEMBL4466751
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N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1cc(=O)c(O)c[nH]1
Basic Information
| ChEMBL ID | CHEMBL4466751 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDFJNYNELFZNMO-PMACEKPBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
435.5
MW (Da)
1.42
ALogP
6
HBA
4
HBD
134.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL1973 | IC50 | 5.05 | 4.815 | 8970.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 8970.0 | nM | 5.05 | Inhibition of tyrosinase (unknown origin) assessed as reduction in monophenolase... | 29763564 |
| Tyrosinase | IC50 | = | 26200.0 | nM | 4.58 | Inhibition of tyrosinase (unknown origin) assessed as reduction in diphenolase a... | 29763564 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29763564 | 10.1021/acs.jmedchem.7b00967 | Tyrosinase | 2 |
Data from ChEMBL 36 via Core Engine