Compound Detail
CHEMBL259421
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 | CHEMBL259421 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBIHYFXAQCCJKP-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
3.69
ALogP
4
HBA
0
HBD
45.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Luciferin 4-monooxygenase CHEMBL5567 | IC50 | 5.96 | 5.8233 | 1100.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Luciferin 4-monooxygenase | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of Photinus pyralis luciferase by Easy lite assay | 18363348 |
| Luciferin 4-monooxygenase | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of Photinus pyralis luciferase | 18363348 |
| Luciferin 4-monooxygenase | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of Photinus pyralis luciferase by PK-Light assay | 18363348 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18363348 | 10.1021/jm701302v | Luciferin 4-monooxygenase | 5 |
| 18363348 | 10.1021/jm701302v | Unchecked | 2 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine