Compound Detail
CHEMBL1484327
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Basic Information
| ChEMBL ID | CHEMBL1484327 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEMDRGFMSDURSV-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
3.18
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.47
IC50 2 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.47 | 6.47 | 335.0 | 1 |
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 5.91 | 5.91 | 1232.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 5.28 | 5.28 | 5229.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.15 | 5.15 | 7080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 335.0 | nM | 6.47 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Luciferin 4-monooxygenase | EC50 | = | 1232.0 | nM | 5.91 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
| Beta Lactamase | IC50 | = | 5229.0 | nM | 5.28 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
| Toll-like receptor 9 | IC50 | = | 7080.0 | nM | 5.15 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
Data from ChEMBL 36 via Core Engine