Compound Detail
CHEMBL258889
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 | CHEMBL258889 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQDKMWSFOHOBIR-FPLPWBNLSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
231.2
MW (Da)
3.23
ALogP
3
HBA
1
HBD
42.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Luciferin 4-monooxygenase CHEMBL5567 | IC50 | 6.0 | 5.648 | 1000.0 | 5 |
| Unchecked CHEMBL612545 | IC50 | 4.85 | 4.85 | 14200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Luciferin 4-monooxygenase | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of Photinus pyralis luciferase | 18363348 |
| Luciferin 4-monooxygenase | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of Photinus pyralis luciferase by Easy lite assay | 18363348 |
| Luciferin 4-monooxygenase | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of Photinus pyralis luciferase by PK-Light assay | 18363348 |
| Luciferin 4-monooxygenase | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of Photinus pyralis luciferase by BrightGlo reporter gene assay | 18363348 |
| Luciferin 4-monooxygenase | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of Photinus pyralis luciferase by Steady-Glo reporter gene assay | 18363348 |
| Unchecked | IC50 | = | 14200.0 | nM | 4.85 | Inhibition of luciferase Photuris pennsylvanica by Promega Kinase-Glo assay | 18363348 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18363348 | 10.1021/jm701302v | Luciferin 4-monooxygenase | 5 |
| 18363348 | 10.1021/jm701302v | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine