Compound Detail
CHEMBL453116
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Basic Information
| ChEMBL ID | CHEMBL453116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CABYYOSJFIVJAB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
293.8
MW (Da)
4.76
ALogP
3
HBA
0
HBD
22.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Luciferin 4-monooxygenase CHEMBL5150 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
| Luciferin 4-monooxygenase CHEMBL5567 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Luciferin 4-monooxygenase | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by com... | 19215089 |
| Luciferin 4-monooxygenase | IC50 | = | 5400.0 | nM | 5.27 | 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 |
Data from ChEMBL 36 via Core Engine