Compound Detail
CHEMBL251734
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Basic Information
| ChEMBL ID | CHEMBL251734 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGQCNQPGVUJPCK-KTKRTIGZSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
444.7
MW (Da)
6.50
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.10
QED
1
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.5
Ki 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lethal factor CHEMBL4372 | Ki | 5.22 | 5.22 | 6000.0 | 1 |
| Lethal factor CHEMBL4372 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lethal factor | Ki | = | 6000.0 | nM | 5.22 | Inhibition of anthrax lethal factor by FRET assay | 17574849 |
| Lethal factor | IC50 | = | 32000.0 | nM | 4.5 | Inhibition of anthrax lethal factor by FRET assay | 17574849 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17574849 | 10.1016/j.bmcl.2007.05.089 | Lethal factor | 2 |
Data from ChEMBL 36 via Core Engine