Compound Detail
CHEMBL3112750
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Basic Information
| ChEMBL ID | CHEMBL3112750 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPMIKKMJEYJTAE-MNOVXSKESA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
-0.89
ALogP
6
HBA
1
HBD
123.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.68 | 6.06 | 210.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 210.0 | nM | 6.68 | Inhibition of beta-lactamase AmpC in Pseudomonas aeruginosa assessed as inhibiti... | 24433862 |
| Unchecked | IC50 | = | 260.0 | nM | 6.58 | Inhibition of beta-lactamase KPC-2 in Klebsiella pneumoniae assessed as inhibiti... | 24433862 |
| Unchecked | IC50 | = | 12000.0 | nM | 4.92 | 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