Compound Detail
CHEMBL4279327
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 | CHEMBL4279327 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWIWGXUIPZBNCA-GDNBJRDFSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
371.4
MW (Da)
3.80
ALogP
5
HBA
1
HBD
66.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.51 | 5.4167 | 310.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 310.0 | nM | 6.51 | Inhibition of bacterial L1 expressed in Escherichia coli BL21(DE3) using cefazol... | 29670701 |
| Unchecked | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of bacterial NDM1 expressed in Escherichia coli BL21(DE3) using cefaz... | 29670701 |
| Unchecked | IC50 | = | 15000.0 | nM | 4.82 | 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 | 10 |
| 29670701 | 10.1021/acsmedchemlett.7b00548 | No relevant target | 3 |
Data from ChEMBL 36 via Core Engine