Compound Detail
CHEMBL3896059
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3896059 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXIFWUYINSCSPL-KGLIPLIRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
0.27
ALogP
6
HBA
3
HBD
128.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL1641350 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Beta-lactamase CHEMBL1641358 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase | IC50 | = | 14.0 | nM | 7.85 | Spectrophotometric Assay: Enzyme activities were measured in the presence of the... | - |
| Beta-lactamase | IC50 | = | 19.0 | nM | 7.72 | Spectrophotometric Assay: Enzyme activities were measured in the presence of the... | - |
Data from ChEMBL 36 via Core Engine