Compound Detail
CHEMBL4279447
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 | CHEMBL4279447 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXXCAQSGBBSXOC-ZROIWOOFSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
3.70
ALogP
6
HBA
1
HBD
100.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.3 | 6.355 | 50.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 50.0 | nM | 7.3 | Inhibition of bacterial L1 expressed in Escherichia coli BL21(DE3) using cefazol... | 29670701 |
| Unchecked | IC50 | = | 190.0 | nM | 6.72 | Inhibition of bacterial VIM2 expressed in Escherichia coli BL21(DE3) using cefaz... | 29670701 |
| Unchecked | IC50 | = | 1310.0 | nM | 5.88 | Inhibition of bacterial NDM1 expressed in Escherichia coli BL21(DE3) using cefaz... | 29670701 |
| Unchecked | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of bacterial ImiS expressed in Escherichia coli BL21(DE3) using imipe... | 29670701 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29670701 | 10.1021/acsmedchemlett.7b00548 | Unchecked | 20 |
| 29670701 | 10.1021/acsmedchemlett.7b00548 | Escherichia coli | 2 |
| 29670701 | 10.1021/acsmedchemlett.7b00548 | L929 | 1 |
Data from ChEMBL 36 via Core Engine