Compound Detail
CHEMBL1431610
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Basic Information
| ChEMBL ID | CHEMBL1431610 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSSSHNJONFTXHS-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
309.3
MW (Da)
3.51
ALogP
3
HBA
0
HBD
33.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 5.86 | 5.86 | 1370.7 | 1 |
| Beta-lactamase CHEMBL1293260 | IC50 | 5.25 | 5.25 | 5572.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 4.66 | 4.66 | 22065.0 | 1 |
| Beta-lactamase CHEMBL1293244 | IC50 | 4.11 | 4.11 | 78211.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | IC50 | = | 1370.69 | nM | 5.86 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists of GPR35. High conte... | - |
| Beta-lactamase | IC50 | = | 5572.0 | nM | 5.25 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Beta Lactamase | IC50 | = | 22065.0 | nM | 4.66 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Beta-lactamase | IC50 | = | 78211.0 | nM | 4.11 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25677664 | 10.1016/j.bmcl.2015.01.047 | HepG2 | 3 |
Data from ChEMBL 36 via Core Engine