Compound Detail
CHEMBL1724937
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Basic Information
| ChEMBL ID | CHEMBL1724937 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBKILDUWNJOMEW-JZJYNLBNSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
2.46
ALogP
4
HBA
2
HBD
73.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.21
EC50 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL1293260 | IC50 | 6.21 | 6.21 | 619.5 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 5.86 | 5.86 | 1392.0 | 1 |
| Beta-lactamase CHEMBL1293244 | IC50 | 5.79 | 5.79 | 1622.0 | 1 |
| Heat shock protein HSP90 CHEMBL2095165 | IC50 | 5.35 | 5.35 | 4455.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.34 | 5.34 | 4580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase | IC50 | = | 619.48 | nM | 6.21 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Beta Lactamase | IC50 | = | 1392.0 | nM | 5.86 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Beta-lactamase | IC50 | = | 1622.0 | nM | 5.79 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Heat shock protein HSP90 | IC50 | = | 4455.0 | nM | 5.35 | PUBCHEM_BIOASSAY: Tumor Hsp90 Inhibitors Dose Response Confirmation. (Class of a... | - |
| Unchecked | EC50 | = | 4580.0 | nM | 5.34 | PUBCHEM_BIOASSAY: HCS for Compounds that Up-Regulate Insulin Promoter Activity i... | - |
Data from ChEMBL 36 via Core Engine