Compound Detail
CHEMBL3983018
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Basic Information
| ChEMBL ID | CHEMBL3983018 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWKHYPPKPLXBIY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
201.2
MW (Da)
2.08
ALogP
3
HBA
2
HBD
53.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyphenol oxidase 1 CHEMBL3988582 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyphenol oxidase 1 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition Assay: Reader: Synergy HT program: tyrosinase 280-490 kinetics: kinet... | - |
| Unchecked | IC50 | = | 2000.0 | nM | 5.7 | Mushroom Tyrosinase Assay: All test compounds were initially dissolved in 100% D... | - |
Data from ChEMBL 36 via Core Engine