Compound Detail
CHEMBL1818875
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Basic Information
| ChEMBL ID | CHEMBL1818875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDFBIASNXIDXSK-VZUCSPMQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
197.2
MW (Da)
0.99
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 4.42 | 4.42 | 37930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substr... | 21777998 |
| Acetylcholinesterase | IC50 | = | 37930.0 | nM | 4.42 | Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as su... | 30568755 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26087027 | 10.1016/j.ejmech.2015.04.061 | Aedes aegypti | 3 |
| 30568755 | 10.1039/C8MD00399H | Amine oxidase [flavin-containing] B | 2 |
| 30568755 | 10.1039/C8MD00399H | Amine oxidase [flavin-containing] A | 2 |
| 21777998 | 10.1016/j.ejmech.2011.07.003 | Tyrosinase | 1 |
| 26087027 | 10.1016/j.ejmech.2015.04.061 | ADMET | 1 |
| 26087027 | 10.1016/j.ejmech.2015.04.061 | No relevant target | 1 |
| 30568755 | 10.1039/C8MD00399H | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine