Compound Detail
CHEMBL3112753
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 | CHEMBL3112753 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSIOHNDCLFKUPP-MNOVXSKESA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
-0.89
ALogP
6
HBA
3
HBD
128.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL1641350 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.52 | 6.7633 | 30.0 | 3 |
| Beta-lactamase CHEMBL1641358 | IC50 | 7.11 | 7.11 | 77.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 30.0 | nM | 7.52 | Inhibition of beta-lactamase AmpC in Pseudomonas aeruginosa assessed as inhibiti... | 24433862 |
| Beta-lactamase | IC50 | = | 30.0 | nM | 7.52 | Spectrophotometric Assay: Enzyme activities were measured in the presence of the... | - |
| Unchecked | IC50 | = | 77.0 | nM | 7.11 | Inhibition of beta-lactamase KPC-2 in Klebsiella pneumoniae assessed as inhibiti... | 24433862 |
| Beta-lactamase | IC50 | = | 77.0 | nM | 7.11 | Spectrophotometric Assay: Enzyme activities were measured in the presence of the... | - |
| Unchecked | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of beta-lactamase AmpC in Acinetobacter baumannii assessed as inhibit... | 24433862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24433862 | 10.1016/j.bmcl.2013.12.101 | Unchecked | 6 |
| 24433862 | 10.1016/j.bmcl.2013.12.101 | Beta-lactamase | 1 |
Data from ChEMBL 36 via Core Engine