Compound Detail
CHEMBL4742890
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Basic Information
| ChEMBL ID | CHEMBL4742890 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKXNNGKOSDUTAA-GIJQJNRQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
358.8
MW (Da)
3.84
ALogP
5
HBA
2
HBD
83.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.16 | 5.14 | 7000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 7000.0 | nM | 5.16 | Inhibition of beta-lactamase VIM4 (unknown origin) expressed in Escherichia coli... | 32937203 |
| Unchecked | Ki | = | 7600.0 | nM | 5.12 | Inhibition of beta-lactamase NDM1 (unknown origin) expressed in Escherichia coli... | 32937203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32937203 | 10.1016/j.ejmech.2020.112720 | Unchecked | 8 |
Data from ChEMBL 36 via Core Engine