Compound Detail
CHEMBL3946631
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Basic Information
| ChEMBL ID | CHEMBL3946631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEVFDHXLJVXHNF-ZJUUUORDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
-1.06
ALogP
6
HBA
2
HBD
133.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL1641358 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Beta-lactamase CHEMBL1641350 | IC50 | 6.09 | 6.09 | 820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase | IC50 | = | 8.0 | nM | 8.1 | Spectrophotometric Assay: Enzyme activities were measured in the presence of the... | - |
| Beta-lactamase | IC50 | = | 820.0 | nM | 6.09 | Spectrophotometric Assay: Enzyme activities were measured in the presence of the... | - |
Data from ChEMBL 36 via Core Engine