Compound Detail
CHEMBL410484
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Basic Information
| ChEMBL ID | CHEMBL410484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDUNTCRUGVWFII-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
4.21
ALogP
5
HBA
0
HBD
72.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.05
EC50 1 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Luciferin 4-monooxygenase CHEMBL5567 | IC50 | 6.05 | 5.9667 | 900.0 | 3 |
| Catenin beta-1 CHEMBL5866 | IC50 | 5.69 | 5.69 | 2060.0 | 1 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 4.84 | 4.84 | 14490.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Luciferin 4-monooxygenase | IC50 | = | 900.0 | nM | 6.05 | Inhibition of Photinus pyralis luciferase | 18363348 |
| Luciferin 4-monooxygenase | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of Photinus pyralis luciferase by Easy lite assay | 18363348 |
| Luciferin 4-monooxygenase | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of Photinus pyralis luciferase by PK-Light assay | 18363348 |
| Catenin beta-1 | IC50 | = | 2060.0 | nM | 5.69 | PUBCHEM_BIOASSAY: High Throughput Imaging Assay for Beta-Casein. High Throughput... | - |
| Heat shock factor protein 1 | EC50 | = | 14490.0 | nM | 4.84 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators o... | - |
| Unchecked | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of Renilla reniformis luciferase | 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