Compound Detail
CHEMBL92816
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Basic Information
| ChEMBL ID | CHEMBL92816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYKGLCSXVAAXNC-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
254.4
MW (Da)
4.03
ALogP
3
HBA
0
HBD
16.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.7
Ki 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Luciferin 4-monooxygenase CHEMBL5567 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Luciferin 4-monooxygenase CHEMBL5150 | IC50 | 6.5 | 5.735 | 320.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | Ki | = | 4.0 | nM | 8.4 | Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-... | 12801237 |
| Luciferin 4-monooxygenase | IC50 | = | 200.0 | nM | 6.7 | Inhibition of luciferin binding site of Photinus pyralis luciferase by competiti... | 19215089 |
| Luciferin 4-monooxygenase | IC50 | = | 320.0 | nM | 6.5 | Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by com... | 19215089 |
| Luciferin 4-monooxygenase | IC50 | = | 10700.0 | nM | 4.97 | 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 |
| 21684753 | 10.1016/j.bmc.2011.05.052 | Unchecked | 2 |
| 21803586 | 10.1016/j.bmc.2011.07.016 | Microtubule-associated protein tau | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 12801237 | 10.1021/jm030026b | No relevant target | 1 |
| 12801237 | 10.1021/jm030026b | Amyloid-beta precursor protein | 1 |
| 21684753 | 10.1016/j.bmc.2011.05.052 | Beta-glucuronidase | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine