Compound Detail
CHEMBL4757374
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Basic Information
| ChEMBL ID | CHEMBL4757374 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCEWTGCKXFLYQP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
3.74
ALogP
5
HBA
3
HBD
82.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL1973 | IC50 | 5.34 | 5.34 | 4600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 4600.0 | nM | 5.34 | Inhibition of human tyrosinase using L- DOPA as substrate by MBTH based assay | 32787103 |
| Tyrosinase | IC50 | = | 4600.0 | nM | 5.34 | Inhibition of human tyrosinase using L-DOPA as substrate incubated for 10 to 20 ... | 35717871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32787103 | 10.1021/acs.jmedchem.0c00994 | Tyrosinase | 1 |
| 35717871 | 10.1016/j.ejmech.2022.114525 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine