Compound Detail
CHEMBL1373849
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Basic Information
| ChEMBL ID | CHEMBL1373849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUTDAFSEGCDHHH-RIYZIHGNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
396.3
MW (Da)
5.10
ALogP
4
HBA
1
HBD
40.5
PSA (Ų)
0.58
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL1293260 | IC50 | 5.5 | 5.5 | 3155.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 4.31 | 4.31 | 49421.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase | IC50 | = | 3155.0 | nM | 5.5 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Beta Lactamase | IC50 | = | 49421.0 | nM | 4.31 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
Data from ChEMBL 36 via Core Engine