Compound Detail
CHEMBL1213447
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Basic Information
| ChEMBL ID | CHEMBL1213447 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAKOBKPDJJGRIL-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
283.3
MW (Da)
2.26
ALogP
4
HBA
2
HBD
83.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.68 | 4.1475 | 21000.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 21000.0 | nM | 4.68 | Inhibition of beta lactamase CTX-M assessed as hydrolysis of beta lactam by spec... | 19305397 |
| Unchecked | Ki | = | 21000.0 | nM | 4.68 | Inhibition of beta-lactamase CTX-M using nitrocefin as substrate | 22296601 |
| Unchecked | Ki | = | 21000.0 | nM | 4.68 | Binding affinity to beta-lactamase CTX-M (unknown origin) assessed as inhibition... | 35988449 |
| Unchecked | Ki | = | 2800000.0 | nM | 2.55 | Inhibition of beta lactamase AmpC assessed as hydrolysis of beta lactam by spect... | 19305397 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19305397 | 10.1038/nchembio.155 | Unchecked | 2 |
| 35988449 | 10.1016/j.ejmech.2022.114677 | Unchecked | 2 |
| 22296601 | 10.1021/jm2014138 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine