Compound Detail
CHEMBL498681
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Basic Information
| ChEMBL ID | CHEMBL498681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIWVNWJRDJKHCW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
308.8
MW (Da)
4.65
ALogP
2
HBA
1
HBD
42.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Luciferin 4-monooxygenase CHEMBL3701 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Luciferin 4-monooxygenase | IC50 | = | 160.0 | nM | 6.8 | Inhibition of firefly luciferase activity | 18646744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18646744 | 10.1021/jm8004509 | Luciferin 4-monooxygenase | 1 |
Data from ChEMBL 36 via Core Engine