Compound Detail
CHEMBL569602
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 | CHEMBL569602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWARPKICJUGFKM-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
3.64
ALogP
5
HBA
1
HBD
41.5
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Ki 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lethal factor CHEMBL4372 | Ki | 5.3 | 5.3 | 5000.0 | 1 |
| Lethal factor CHEMBL4372 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lethal factor | Ki | = | 5000.0 | nM | 5.3 | Inhibition of Bacillus anthracis lethal factor assessed as cleavage of MAPKK by ... | 19359184 |
| Lethal factor | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of Bacillus anthracis lethal factor assessed as cleavage of MAPKK by ... | 19359184 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19359184 | 10.1016/j.bmc.2009.03.040 | Lethal factor | 2 |
| 19359184 | 10.1016/j.bmc.2009.03.040 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine