Compound Detail
CHEMBL261123
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Basic Information
| ChEMBL ID | CHEMBL261123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKXJIEMSZDBZKJ-UHFFFAOYSA-N |
2
Targets
8
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
270.7
MW (Da)
4.37
ALogP
3
HBA
0
HBD
38.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.82
EC50 2 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Luciferin 4-monooxygenase CHEMBL5567 | IC50 | 6.82 | 6.568 | 150.0 | 5 |
| Unchecked CHEMBL612545 | EC50 | 5.08 | 5.045 | 8329.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.98 | 4.98 | 10500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Luciferin 4-monooxygenase | IC50 | = | 150.0 | nM | 6.82 | Inhibition of Photinus pyralis luciferase | 18363348 |
| Luciferin 4-monooxygenase | IC50 | = | 160.0 | nM | 6.8 | Inhibition of Photinus pyralis luciferase by Steady-Glo reporter gene assay | 18363348 |
| Luciferin 4-monooxygenase | IC50 | = | 300.0 | nM | 6.52 | Inhibition of Photinus pyralis luciferase by BrightGlo reporter gene assay | 18363348 |
| Luciferin 4-monooxygenase | IC50 | = | 400.0 | nM | 6.4 | Inhibition of Photinus pyralis luciferase by Easy lite assay | 18363348 |
| Luciferin 4-monooxygenase | IC50 | = | 500.0 | nM | 6.3 | Inhibition of Photinus pyralis luciferase by PK-Light assay | 18363348 |
| Unchecked | EC50 | = | 8329.0 | nM | 5.08 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Unchecked | EC50 | = | 9821.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | IC50 | = | 10500.0 | nM | 4.98 | 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