Compound Detail
CHEMBL1463795
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Basic Information
| ChEMBL ID | CHEMBL1463795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHCVZRUTNUXSRL-UHFFFAOYSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
2.59
ALogP
4
HBA
0
HBD
54.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.64
EC50 1 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL1293260 | IC50 | 5.64 | 5.64 | 2280.0 | 1 |
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 5.56 | 5.56 | 2757.8 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 5.52 | 5.52 | 2998.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.47 | 5.47 | 3410.0 | 1 |
| Beta-lactamase CHEMBL1293244 | IC50 | 5.46 | 5.46 | 3498.0 | 1 |
| Calpain-2 catalytic subunit CHEMBL4143 | IC50 | 4.86 | 4.86 | 13866.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase | IC50 | = | 2280.0 | nM | 5.64 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| G-protein coupled receptor 35 | IC50 | = | 2757.82 | nM | 5.56 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists of GPR35. High conte... | - |
| Beta Lactamase | IC50 | = | 2998.0 | nM | 5.52 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Unchecked | EC50 | = | 3410.0 | nM | 5.47 | PUBCHEM_BIOASSAY: HCS for Compounds that Up-Regulate Insulin Promoter Activity i... | - |
| Beta-lactamase | IC50 | = | 3498.0 | nM | 5.46 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Calpain-2 catalytic subunit | IC50 | = | 13866.74 | nM | 4.86 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of a... | - |
Data from ChEMBL 36 via Core Engine