Compound Detail
CHEMBL1172821
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Basic Information
| ChEMBL ID | CHEMBL1172821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCBRQAADESOVBU-UITAMQMPSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
347.3
MW (Da)
2.99
ALogP
4
HBA
1
HBD
57.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.96 | 5.24 | 110.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 110.0 | nM | 6.96 | Inhibition of bacterial L1 expressed in Escherichia coli BL21(DE3) using cefazol... | 29670701 |
| Unchecked | IC50 | = | 12700.0 | nM | 4.9 | Inhibition of bacterial VIM2 expressed in Escherichia coli BL21(DE3) using cefaz... | 29670701 |
| Unchecked | IC50 | = | 14300.0 | nM | 4.84 | Inhibition of bacterial NDM1 expressed in Escherichia coli BL21(DE3) using cefaz... | 29670701 |
| Unchecked | IC50 | = | 55200.0 | nM | 4.26 | Inhibition of His-tagged recombinant NS5B Cdelta 21 polymerase expressed in Esch... | 20627595 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29670701 | 10.1021/acsmedchemlett.7b00548 | Unchecked | 8 |
| 20627595 | 10.1016/j.bmc.2010.05.030 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine