Compound Detail
CHEMBL1631303
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Basic Information
| ChEMBL ID | CHEMBL1631303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFEXFWPCHBOSRU-POHAHGRESA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
1.98
ALogP
5
HBA
1
HBD
66.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.22
EC50 2 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.22 | 5.41 | 600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 600.0 | nM | 6.22 | Inhibition of bacterial L1 expressed in Escherichia coli BL21(DE3) using cefazol... | 29670701 |
| Unchecked | IC50 | = | 25100.0 | nM | 4.6 | 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 |
| 20947220 | 10.1016/j.ejmech.2010.09.045 | Staphylococcus aureus | 5 |
| 29655609 | 10.1016/j.bmc.2018.02.043 | Unchecked | 4 |
| 25999203 | 10.1016/j.bmc.2015.04.072 | Human immunodeficiency virus type 1 integrase | 1 |
| 29655609 | 10.1016/j.bmc.2018.02.043 | Metallo-beta-lactamase type 2 | 1 |
| 29655609 | 10.1016/j.bmc.2018.02.043 | Beta-lactamase TEM | 1 |
| 29655609 | 10.1016/j.bmc.2018.02.043 | Beta-lactamase CTX-M | 1 |
| 29655609 | 10.1016/j.bmc.2018.02.043 | Beta-lactamase | 1 |
| 29655609 | 10.1016/j.bmc.2018.02.043 | Beta-lactamase OXA-10 | 1 |
| 34826680 | 10.1016/j.bmc.2021.116518 | Unchecked | 1 |
| 34826680 | 10.1016/j.bmc.2021.116518 | HepG2 | 1 |
| 34826680 | 10.1016/j.bmc.2021.116518 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine