Compound Detail
CHEMBL5203076
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CON(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL5203076 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GEIFNYQECUEXDQ-VJANTYMQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
629.8
MW (Da)
-1.67
ALogP
8
HBA
11
HBD
290.0
PSA (Ų)
0.03
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lethal factor CHEMBL4372 | Ki | 8.19 | 8.19 | 6.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lethal factor | Ki | = | 6.4 | nM | 8.19 | Binding affinity to Bacillus anthracis lethal factor assessed as inhibition cons... | 34624823 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34624823 | 10.1016/j.ejmech.2021.113877 | Lethal factor | 1 |
Data from ChEMBL 36 via Core Engine