Compound Detail
CHEMBL490083
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Basic Information
| ChEMBL ID | CHEMBL490083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFMONRZWRJLZNE-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
259.3
MW (Da)
4.11
ALogP
3
HBA
0
HBD
22.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.07
Ki 1 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | Ki | 8.66 | 8.66 | 2.2 | 1 |
| Luciferin 4-monooxygenase CHEMBL5150 | IC50 | 6.07 | 6.07 | 860.0 | 1 |
| Luciferin 4-monooxygenase CHEMBL5567 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | Ki | = | 2.2 | nM | 8.66 | Displacement of [125I]IMPY from beta-amyloid plaques in Alzheimer's disease pati... | 19216563 |
| Luciferin 4-monooxygenase | IC50 | = | 860.0 | nM | 6.07 | Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by com... | 19215089 |
| Luciferin 4-monooxygenase | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of luciferin binding site of Photinus pyralis luciferase by competiti... | 19215089 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19215089 | 10.1021/jm8014525 | Luciferin 4-monooxygenase | 5 |
| 19216563 | 10.1021/jm8013376 | Amyloid-beta precursor protein | 1 |
| 19216563 | 10.1021/jm8013376 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine