Compound Detail
CHEMBL1498210
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Basic Information
| ChEMBL ID | CHEMBL1498210 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNLWWZFCBNHEJV-UHFFFAOYSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
2.98
ALogP
4
HBA
0
HBD
54.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.78
EC50 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 5.78 | 5.78 | 1665.6 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.55 | 5.55 | 2790.0 | 1 |
| Beta-lactamase CHEMBL1293260 | IC50 | 5.51 | 5.51 | 3076.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 5.43 | 5.43 | 3699.0 | 1 |
| Beta-lactamase CHEMBL1293244 | IC50 | 5.37 | 5.37 | 4225.0 | 1 |
| Calpain-2 catalytic subunit CHEMBL4143 | IC50 | 4.51 | 4.51 | 30626.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | IC50 | = | 1665.61 | nM | 5.78 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists of GPR35. High conte... | - |
| Unchecked | EC50 | = | 2790.0 | nM | 5.55 | PUBCHEM_BIOASSAY: HCS for Compounds that Up-Regulate Insulin Promoter Activity i... | - |
| Beta-lactamase | IC50 | = | 3076.0 | nM | 5.51 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Beta Lactamase | IC50 | = | 3699.0 | nM | 5.43 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Beta-lactamase | IC50 | = | 4225.0 | nM | 5.37 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Calpain-2 catalytic subunit | IC50 | = | 30626.62 | nM | 4.51 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of a... | - |
Data from ChEMBL 36 via Core Engine