Compound Detail
CHEMBL3976550
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Basic Information
| ChEMBL ID | CHEMBL3976550 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSSMELCXJUVNNA-SFYZADRCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
352.3
MW (Da)
-1.58
ALogP
6
HBA
3
HBD
128.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL1641350 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Beta-lactamase CHEMBL1641358 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase | IC50 | = | 40.0 | nM | 7.4 | Spectrophotometric Assay: Enzyme activities were measured in the presence of the... | - |
| Beta-lactamase | IC50 | = | 120.0 | nM | 6.92 | Spectrophotometric Assay: Enzyme activities were measured in the presence of the... | - |
Data from ChEMBL 36 via Core Engine