Compound Detail
CHEMBL328430
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Basic Information
| ChEMBL ID | CHEMBL328430 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POFIKJKJPDPHTI-UHFFFAOYSA-N |
3
Targets
4
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
284.4
MW (Da)
4.04
ALogP
4
HBA
0
HBD
25.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.16
Kd 1 meas. best 6.66
Ki 1 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | Ki | 8.72 | 8.72 | 1.9 | 1 |
| Amyloid-beta precursor protein CHEMBL2487 | Kd | 6.66 | 6.66 | 220.0 | 1 |
| Luciferin 4-monooxygenase CHEMBL5567 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Luciferin 4-monooxygenase CHEMBL5150 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | Ki | = | 1.9 | nM | 8.72 | Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-... | 12801237 |
| Amyloid-beta precursor protein | Kd | = | 220.0 | nM | 6.66 | Binding affinity to amyloid beta (1 to 40) (unknown origin) aggregates assessed ... | 36966976 |
| Luciferin 4-monooxygenase | IC50 | = | 700.0 | nM | 6.16 | Inhibition of luciferin binding site of Photinus pyralis luciferase by competiti... | 19215089 |
| Luciferin 4-monooxygenase | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by com... | 19215089 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19215089 | 10.1021/jm8014525 | Luciferin 4-monooxygenase | 5 |
| 12801237 | 10.1021/jm030026b | Unchecked | 3 |
| 12801237 | 10.1021/jm030026b | No relevant target | 1 |
| 12801237 | 10.1021/jm030026b | Amyloid-beta precursor protein | 1 |
| 36966976 | 10.1016/j.bmcl.2023.129257 | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine