Compound Detail
CHEMBL1303641
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Basic Information
| ChEMBL ID | CHEMBL1303641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGAPBLVHCYMHCF-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
3.60
ALogP
5
HBA
2
HBD
71.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.05
EC50 1 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL1293260 | IC50 | 6.05 | 6.05 | 889.9 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 5.74 | 5.74 | 1840.0 | 1 |
| Beta-lactamase CHEMBL1293244 | IC50 | 5.67 | 5.67 | 2115.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.39 | 5.39 | 4030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase | IC50 | = | 889.94 | nM | 6.05 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Beta Lactamase | IC50 | = | 1840.0 | nM | 5.74 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Beta-lactamase | IC50 | = | 2115.0 | nM | 5.67 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Unchecked | EC50 | = | 4030.0 | nM | 5.39 | PUBCHEM_BIOASSAY: HCS for Compounds that Up-Regulate Insulin Promoter Activity i... | - |
Data from ChEMBL 36 via Core Engine