Compound Detail
CHEMBL449008
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Basic Information
| ChEMBL ID | CHEMBL449008 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GEYFXQNOTPBYPC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
245.7
MW (Da)
4.62
ALogP
2
HBA
0
HBD
12.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Luciferin 4-monooxygenase CHEMBL5150 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Luciferin 4-monooxygenase CHEMBL5567 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Luciferin 4-monooxygenase | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by com... | 19215089 |
| Luciferin 4-monooxygenase | IC50 | = | 4500.0 | nM | 5.35 | 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 |
| 21684753 | 10.1016/j.bmc.2011.05.052 | Unchecked | 2 |
| 21684753 | 10.1016/j.bmc.2011.05.052 | Beta-glucuronidase | 1 |
Data from ChEMBL 36 via Core Engine