Compound Detail
CHEMBL583197
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 | CHEMBL583197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOAGGABOGHMZSL-BQYQJAHWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
392.5
MW (Da)
3.79
ALogP
5
HBA
2
HBD
57.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enoyl-[acyl-carrier-protein] reductase [NADH] FabI CHEMBL1857 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enoyl-[acyl-carrier-protein] reductase [NADH] FabI | IC50 | = | 9.0 | nM | 8.05 | Inhibition of Escherichia coli FabI | 19682900 |
| Unchecked | IC50 | = | 57.0 | nM | 7.24 | Inhibition of Staphylococcus aureus FabI | 19682900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19682900 | 10.1016/j.bmcl.2009.07.094 | Staphylococcus aureus | 3 |
| 19682900 | 10.1016/j.bmcl.2009.07.094 | No relevant target | 2 |
| 19682900 | 10.1016/j.bmcl.2009.07.094 | Unchecked | 1 |
| 19682900 | 10.1016/j.bmcl.2009.07.094 | Enoyl-[acyl-carrier-protein] reductase [NADH] FabI | 1 |
| 19682900 | 10.1016/j.bmcl.2009.07.094 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine