Compound Detail
CHEMBL2031555
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Basic Information
| ChEMBL ID | CHEMBL2031555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSZXVNZNJUHGOC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
304.3
MW (Da)
2.60
ALogP
4
HBA
3
HBD
99.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.18 | 5.18 | 6600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 6600.0 | nM | 5.18 | Inhibition of beta-lactamase CTX-M using nitrocefin as substrate | 22296601 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22296601 | 10.1021/jm2014138 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine