Compound Detail
CHEMBL1271003
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Basic Information
| ChEMBL ID | CHEMBL1271003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNXRIINFDPLDNI-NZQKXSOJSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
4.43
ALogP
4
HBA
2
HBD
61.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lethal factor CHEMBL4372 | Ki | 7.96 | 7.96 | 11.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lethal factor | Ki | = | 11.0 | nM | 7.96 | Inhibition of Bacillus anthracis lethal factor assessed as proteolysis using MCA... | 20864339 |
| Lethal factor | Ki | = | 11.0 | nM | 7.96 | Inhibition of Bacillus anthracis lethal factor assessed as proteolysis using MCA... | 21334206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20864339 | 10.1016/j.bmcl.2010.08.058 | Unchecked | 5 |
| 20864339 | 10.1016/j.bmcl.2010.08.058 | No relevant target | 2 |
| 20864339 | 10.1016/j.bmcl.2010.08.058 | Lethal factor | 1 |
| 20864339 | 10.1016/j.bmcl.2010.08.058 | Rattus norvegicus | 1 |
| 21334206 | 10.1016/j.bmcl.2011.02.010 | Lethal factor | 1 |
Data from ChEMBL 36 via Core Engine