Compound Detail
CHEMBL462376
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Basic Information
| ChEMBL ID | CHEMBL462376 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQXREQZOGOFYJC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
307.3
MW (Da)
1.89
ALogP
5
HBA
3
HBD
103.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III CHEMBL3640 | IC50 | 7.5 | 7.5 | 31.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III | IC50 | = | 31.4 | nM | 7.5 | Inhibition of Mycobacterium tuberculosis FabH | 18996691 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18996691 | 10.1016/j.bmcl.2008.10.097 | Unchecked | 2 |
| 18996691 | 10.1016/j.bmcl.2008.10.097 | Beta-ketoacyl-ACP-synthase III | 1 |
| 18996691 | 10.1016/j.bmcl.2008.10.097 | Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III | 1 |
| 18996691 | 10.1016/j.bmcl.2008.10.097 | Escherichia coli | 1 |
| 18996691 | 10.1016/j.bmcl.2008.10.097 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine