Compound Detail
CHEMBL4100896
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 | CHEMBL4100896 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMQKKNSIRMMWBJ-CIAFOILYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
2.64
ALogP
7
HBA
1
HBD
87.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-ketoacyl-[acyl-carrier-protein] synthase III CHEMBL4914 | IC50 | 5.7 | 5.7 | 2000.0 | 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 | = | 2000.0 | nM | 5.7 | 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