Compound Detail
CHEMBL1502002
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Basic Information
| ChEMBL ID | CHEMBL1502002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEDJVNFXFCOYKM-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
320.3
MW (Da)
1.91
ALogP
8
HBA
0
HBD
111.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.84 | 5.84 | 1457.0 | 1 |
| Beta-lactamase CHEMBL1293260 | IC50 | 4.98 | 4.98 | 10512.0 | 1 |
| Calpain-2 catalytic subunit CHEMBL4143 | IC50 | 4.72 | 4.72 | 18963.6 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 4.58 | 4.58 | 26262.0 | 1 |
| Beta-lactamase CHEMBL1293244 | IC50 | 4.43 | 4.43 | 37057.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1457.0 | nM | 5.84 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Beta-lactamase | IC50 | = | 10512.0 | nM | 4.98 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Calpain-2 catalytic subunit | IC50 | = | 18963.56 | nM | 4.72 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of a... | - |
| Beta Lactamase | IC50 | = | 26262.0 | nM | 4.58 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Beta-lactamase | IC50 | = | 37057.0 | nM | 4.43 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
Data from ChEMBL 36 via Core Engine