Compound Detail
CHEMBL4514635
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
Cc1ccc(C(=O)n2c(-c3cn(-c4ccccc4)nc3-c3ccc(C(F)(F)F)cc3)nc3ccccc32)cn1
Basic Information
| ChEMBL ID | CHEMBL4514635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWEVROJMSUOQSU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
523.5
MW (Da)
6.97
ALogP
6
HBA
0
HBD
65.6
PSA (Ų)
0.25
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-oxoacyl-[acyl-carrier-protein] synthase 3 CHEMBL1795135 | IC50 | 5.69 | 5.69 | 2050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-oxoacyl-[acyl-carrier-protein] synthase 3 | IC50 | = | 2050.0 | nM | 5.69 | Inhibition of Escherichia coli FabH in presence of radiolabelled substrates and ... | 30925337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30925337 | 10.1016/j.ejmech.2019.03.026 | Escherichia coli | 1 |
| 30925337 | 10.1016/j.ejmech.2019.03.026 | Pseudomonas aeruginosa | 1 |
| 30925337 | 10.1016/j.ejmech.2019.03.026 | Bacillus subtilis | 1 |
| 30925337 | 10.1016/j.ejmech.2019.03.026 | Staphylococcus aureus | 1 |
| 30925337 | 10.1016/j.ejmech.2019.03.026 | 3-oxoacyl-[acyl-carrier-protein] synthase 3 | 1 |
| 30925337 | 10.1016/j.ejmech.2019.03.026 | HEK-293T | 1 |
| 30925337 | 10.1016/j.ejmech.2019.03.026 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine