Compound Detail
CHEMBL1818244
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Basic Information
| ChEMBL ID | CHEMBL1818244 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTCDNHGBVOTHNT-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1852024 |
| Active Moiety | CHEMBL1852024 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
340.2
MW (Da)
4.68
ALogP
0
HBA
1
HBD
19.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 23000.0 | nM | 4.64 | Inhibition of Escherichia coli DdlB assessed as residual activity of the enzyme ... | 21831641 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21831641 | 10.1016/j.bmc.2011.07.020 | Escherichia coli | 2 |
| 21831641 | 10.1016/j.bmc.2011.07.020 | Staphylococcus aureus | 2 |
| 21831641 | 10.1016/j.bmc.2011.07.020 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine