Compound Detail
CHEMBL1489087
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Basic Information
| ChEMBL ID | CHEMBL1489087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MROIECGIYKVCQE-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
325.1
MW (Da)
4.34
ALogP
2
HBA
3
HBD
78.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.92
IC50 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 6.92 | 6.92 | 120.0 | 1 |
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 5.78 | 5.78 | 1666.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.16 | 5.16 | 6866.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.07 | 5.07 | 8588.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Luciferin 4-monooxygenase | EC50 | = | 120.0 | nM | 6.92 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
| Nuclear factor NF-kappa-B complex | EC50 | = | 1666.0 | nM | 5.78 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
| Unchecked | IC50 | = | 6866.0 | nM | 5.16 | PubChem BioAssay. Fluorescence-based biochemical high throughput dose response a... | - |
| Unchecked | EC50 | = | 8588.0 | nM | 5.07 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine