Compound Detail
CHEMBL564671
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Basic Information
| ChEMBL ID | CHEMBL564671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRWVYRJFBSNSJB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
435.0
MW (Da)
6.10
ALogP
5
HBA
1
HBD
59.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lethal factor CHEMBL4372 | IC50 | 5.05 | 5.05 | 8900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lethal factor | IC50 | = | 8900.0 | nM | 5.05 | 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 | 1 |
Data from ChEMBL 36 via Core Engine