Compound Detail
CHEMBL1604962
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Basic Information
| ChEMBL ID | CHEMBL1604962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTNNJFVMASNJEJ-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
281.4
MW (Da)
2.68
ALogP
4
HBA
0
HBD
60.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.83
EC50 1 meas. best 5.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL1293260 | IC50 | 5.83 | 5.83 | 1489.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.59 | 5.59 | 2560.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 5.56 | 5.56 | 2741.0 | 1 |
| Beta-lactamase CHEMBL1293244 | IC50 | 5.16 | 5.16 | 6862.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase | IC50 | = | 1489.0 | nM | 5.83 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Unchecked | EC50 | = | 2560.0 | nM | 5.59 | PUBCHEM_BIOASSAY: HCS for Compounds that Up-Regulate Insulin Promoter Activity i... | - |
| Beta Lactamase | IC50 | = | 2741.0 | nM | 5.56 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Beta-lactamase | IC50 | = | 6862.0 | nM | 5.16 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
Data from ChEMBL 36 via Core Engine