Compound Detail
CHEMBL472839
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL472839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZWKUYWUBBRDEQ-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
3.85
ALogP
3
HBA
0
HBD
38.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.24
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Luciferin 4-monooxygenase CHEMBL5150 | IC50 | 6.24 | 5.545 | 580.0 | 2 |
| Luciferin 4-monooxygenase CHEMBL5567 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Luciferin 4-monooxygenase | IC50 | = | 580.0 | nM | 6.24 | Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by non... | 19215089 |
| Luciferin 4-monooxygenase | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of luciferin binding site of Photinus pyralis luciferase by noncompet... | 19215089 |
| Luciferin 4-monooxygenase | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by non... | 19215089 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19215089 | 10.1021/jm8014525 | Luciferin 4-monooxygenase | 5 |
Data from ChEMBL 36 via Core Engine