Compound Detail
CHEMBL472929
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Basic Information
| ChEMBL ID | CHEMBL472929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DANKTKKLNXAGKW-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
3.55
ALogP
4
HBA
0
HBD
48.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
EC50 1 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Luciferin 4-monooxygenase CHEMBL5150 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 5.84 | 5.84 | 1441.0 | 1 |
| Luciferin 4-monooxygenase CHEMBL5567 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Luciferin 4-monooxygenase | IC50 | = | 300.0 | nM | 6.52 | Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by non... | 19215089 |
| Nuclear factor NF-kappa-B complex | EC50 | = | 1441.0 | nM | 5.84 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
| Luciferin 4-monooxygenase | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of luciferin binding site of Photinus pyralis luciferase by noncompet... | 19215089 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19215089 | 10.1021/jm8014525 | Luciferin 4-monooxygenase | 5 |
Data from ChEMBL 36 via Core Engine