Compound Detail
CHEMBL4100081
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Basic Information
| ChEMBL ID | CHEMBL4100081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHCKLYOPRLAOKE-SFQUDFHCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
259.4
MW (Da)
3.60
ALogP
3
HBA
0
HBD
30.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-ketoacyl-[acyl-carrier-protein] synthase III CHEMBL4914 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-ketoacyl-[acyl-carrier-protein] synthase III | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B using ho... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C6MD00263C | Beta-ketoacyl-[acyl-carrier-protein] synthase III | 1 |
Data from ChEMBL 36 via Core Engine