Compound Detail
CHEMBL380982
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Basic Information
| ChEMBL ID | CHEMBL380982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEIMGRLZNNVXBO-DAXSKMNVSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
2.03
ALogP
5
HBA
1
HBD
57.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
| Lethal factor CHEMBL4372 | IC50 | 4.1 | 4.1 | 79400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 770.0 | nM | 6.11 | Inhibition of bacterial L1 expressed in Escherichia coli BL21(DE3) using cefazol... | 29670701 |
| Lethal factor | IC50 | = | 79400.0 | nM | 4.1 | Inhibitory activity against anthrax lethal factor metalloprotease | 16392787 |
| Lethal factor | IC50 | = | 79432.82 | nM | 4.1 | Inhibitory activity against anthrax lethal factor metalloprotease | 16392787 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29670701 | 10.1021/acsmedchemlett.7b00548 | Unchecked | 8 |
| 16392787 | 10.1021/jm050892j | Lethal factor | 2 |
Data from ChEMBL 36 via Core Engine