Compound Detail
CHEMBL459369
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 | CHEMBL459369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFYNUIGRICUJRJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
2.85
ALogP
7
HBA
2
HBD
102.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-ketoacyl-[acyl-carrier-protein] synthase III CHEMBL4914 | Kd | 5.91 | 5.91 | 1220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-ketoacyl-[acyl-carrier-protein] synthase III | Kd | = | 1220.0 | nM | 5.91 | Binding affinity to Escherichia coli K12 KAS 3 expressed in Escherichia coli BL2... | 19185501 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19185501 | 10.1016/j.bmc.2009.01.004 | Staphylococcus aureus | 2 |
| 19185501 | 10.1016/j.bmc.2009.01.004 | Unchecked | 1 |
| 19185501 | 10.1016/j.bmc.2009.01.004 | Beta-ketoacyl-[acyl-carrier-protein] synthase III | 1 |
| 19185501 | 10.1016/j.bmc.2009.01.004 | Escherichia coli | 1 |
| 19185501 | 10.1016/j.bmc.2009.01.004 | Klebsiella pneumoniae | 1 |
| 19185501 | 10.1016/j.bmc.2009.01.004 | Enterococcus faecalis | 1 |
Data from ChEMBL 36 via Core Engine