Compound Detail
CHEMBL1547938
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Basic Information
| ChEMBL ID | CHEMBL1547938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRUYSTBKLVDWHE-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
2.93
ALogP
4
HBA
1
HBD
70.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.12
EC50 2 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL1293260 | IC50 | 5.12 | 5.12 | 7503.0 | 1 |
| Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 CHEMBL2097170 | IC50 | 5.04 | 5.04 | 9170.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 4.88 | 4.88 | 13113.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.86 | 4.85 | 13700.0 | 2 |
| Beta-lactamase CHEMBL1293244 | IC50 | 4.85 | 4.85 | 14107.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase | IC50 | = | 7503.0 | nM | 5.12 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 | IC50 | = | 9170.0 | nM | 5.04 | PUBCHEM_BIOASSAY: Homogeneous Time-Resolved Fluorescence Resonance Energy Transf... | - |
| Beta Lactamase | IC50 | = | 13113.0 | nM | 4.88 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Unchecked | EC50 | = | 13700.0 | nM | 4.86 | PUBCHEM_BIOASSAY: HCS for Compounds that Up-Regulate Insulin Promoter Activity i... | - |
| Beta-lactamase | IC50 | = | 14107.0 | nM | 4.85 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Unchecked | EC50 | = | 14600.0 | nM | 4.84 | PUBCHEM_BIOASSAY: Counterscreen for Fluorescence in GFP-Spectra Wavelengths Caus... | - |
Data from ChEMBL 36 via Core Engine