Compound Detail
CHEMBL551180
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Basic Information
| ChEMBL ID | CHEMBL551180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKBZWCBLPWFHTQ-UHFFFAOYSA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
483.0
MW (Da)
7.15
ALogP
5
HBA
1
HBD
59.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.6
IC50 1 meas. best 5.52
Ki 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | EC50 | 6.6 | 6.6 | 251.0 | 1 |
| Lethal factor CHEMBL4372 | Ki | 5.77 | 5.77 | 1700.0 | 1 |
| Lethal factor CHEMBL4372 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | EC50 | = | 251.0 | nM | 6.6 | Protection against anthrax protective antigen-38/LF-induced cell death in mouse ... | 19359184 |
| Lethal factor | Ki | = | 1700.0 | nM | 5.77 | Inhibition of Bacillus anthracis lethal factor assessed as cleavage of MAPKK by ... | 19359184 |
| Lethal factor | IC50 | = | 3000.0 | nM | 5.52 | 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 | No relevant target | 2 |
| 19359184 | 10.1016/j.bmc.2009.03.040 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine