Compound Detail
CHEMBL200716
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Basic Information
| ChEMBL ID | CHEMBL200716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVYXWODXMYIPOL-QPEQYQDCSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
395.9
MW (Da)
4.35
ALogP
5
HBA
1
HBD
57.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lethal factor CHEMBL4372 | IC50 | 5.5 | 5.495 | 3200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lethal factor | IC50 | = | 3200.0 | nM | 5.5 | Inhibitory activity against anthrax lethal factor metalloprotease | 16392787 |
| Lethal factor | IC50 | = | 3235.94 | nM | 5.49 | 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