Compound Detail
CHEMBL2324045
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Basic Information
| ChEMBL ID | CHEMBL2324045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPHUJJLETUARHF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
273.7
MW (Da)
3.62
ALogP
3
HBA
0
HBD
30.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Luciferin 4-monooxygenase CHEMBL5567 | IC50 | 9.28 | 9.28 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Luciferin 4-monooxygenase | IC50 | = | 0.5248 | nM | 9.28 | Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay | 23286196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23286196 | 10.1021/jm301516q | Luciferin 4-monooxygenase | 3 |
Data from ChEMBL 36 via Core Engine