Compound Detail
CHEMBL1332522
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Basic Information
| ChEMBL ID | CHEMBL1332522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVEFSPOGHCMTSQ-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
281.4
MW (Da)
4.08
ALogP
3
HBA
0
HBD
50.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.83
EC50 2 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL1293260 | IC50 | 5.83 | 5.83 | 1466.0 | 1 |
| HEK293 CHEMBL614818 | EC50 | 5.81 | 5.81 | 1554.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 5.39 | 5.39 | 4065.0 | 1 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | EC50 | 5.36 | 5.36 | 4420.0 | 1 |
| Beta-lactamase CHEMBL1293244 | IC50 | 5.29 | 5.29 | 5072.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase | IC50 | = | 1466.0 | nM | 5.83 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| HEK293 | EC50 | = | 1554.0 | nM | 5.81 | PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-ba... | - |
| Beta Lactamase | IC50 | = | 4065.0 | nM | 5.39 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | EC50 | = | 4420.0 | nM | 5.36 | PubChem BioAssay. Dose Response for ABC transporter inhibitors: specifically ABC... | - |
| Beta-lactamase | IC50 | = | 5072.0 | nM | 5.29 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
Data from ChEMBL 36 via Core Engine