Compound Detail
CHEMBL4289971
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Basic Information
| ChEMBL ID | CHEMBL4289971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBTRREVUPCHCQA-WQLSENKSSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
3.38
ALogP
5
HBA
1
HBD
70.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.75 | 6.455 | 180.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 180.0 | nM | 6.75 | Inhibition of bacterial L1 expressed in Escherichia coli BL21(DE3) using cefazol... | 29670701 |
| Unchecked | IC50 | = | 690.0 | nM | 6.16 | Inhibition of bacterial NDM1 expressed in Escherichia coli BL21(DE3) using cefaz... | 29670701 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29670701 | 10.1021/acsmedchemlett.7b00548 | Unchecked | 8 |
Data from ChEMBL 36 via Core Engine