Compound Detail
CHEMBL381845
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Basic Information
| ChEMBL ID | CHEMBL381845 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGHMXHZVJWLQFP-QPEQYQDCSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
424.3
MW (Da)
3.99
ALogP
5
HBA
1
HBD
70.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lethal factor CHEMBL4372 | IC50 | 6.07 | 6.07 | 850.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lethal factor | IC50 | = | 850.0 | nM | 6.07 | Inhibitory activity against anthrax lethal factor metalloprotease | 16392787 |
| Lethal factor | IC50 | = | 851.14 | nM | 6.07 | Inhibitory activity against anthrax lethal factor metalloprotease | 16392787 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16392787 | 10.1021/jm050892j | Lethal factor | 2 |
Data from ChEMBL 36 via Core Engine