Compound Detail
CHEMBL4067921
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Basic Information
| ChEMBL ID | CHEMBL4067921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTVPESZXOWXYOX-VCHYOVAHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
357.3
MW (Da)
2.23
ALogP
7
HBA
2
HBD
123.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-ketoacyl-[acyl-carrier-protein] synthase III CHEMBL4914 | IC50 | 5.46 | 5.46 | 3500.0 | 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 | = | 3500.0 | nM | 5.46 | Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B using ho... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C6MD00263C | NIH3T3 | 1 |
| - | 10.1039/C6MD00263C | Beta-ketoacyl-[acyl-carrier-protein] synthase III | 1 |
| - | 10.1039/C6MD00263C | Bacillus subtilis | 1 |
| - | 10.1039/C6MD00263C | Staphylococcus aureus | 1 |
| - | 10.1039/C6MD00263C | Pseudomonas aeruginosa | 1 |
| - | 10.1039/C6MD00263C | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine