Compound Detail
CHEMBL444376
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Basic Information
| ChEMBL ID | CHEMBL444376 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGCAYAQYGQEGHS-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
352.5
MW (Da)
3.32
ALogP
6
HBA
1
HBD
76.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Luciferin 4-monooxygenase CHEMBL5567 | IC50 | 5.96 | 5.322 | 1100.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Luciferin 4-monooxygenase | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of Photinus pyralis luciferase | 18363348 |
| Luciferin 4-monooxygenase | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of Photinus pyralis luciferase by Easy lite assay | 18363348 |
| Luciferin 4-monooxygenase | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of Photinus pyralis luciferase by PK-Light assay | 18363348 |
| Luciferin 4-monooxygenase | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of Photinus pyralis luciferase by Steady-Glo reporter gene assay | 18363348 |
| Luciferin 4-monooxygenase | IC50 | = | 13300.0 | nM | 4.88 | Inhibition of Photinus pyralis luciferase by BrightGlo reporter gene assay | 18363348 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18363348 | 10.1021/jm701302v | Luciferin 4-monooxygenase | 5 |
| 18363348 | 10.1021/jm701302v | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine