Compound Detail
CHEMBL3634962
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Cc1cc(S(=O)(=O)N(Cc2ccc(CCNC(=O)OC(C)(C)C)cc2)[C@H](C)C(=O)NO)ccc1F
Basic Information
| ChEMBL ID | CHEMBL3634962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIOQOJPTHHLYDN-QGZVFWFLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
509.6
MW (Da)
3.29
ALogP
6
HBA
3
HBD
125.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lethal factor CHEMBL4372 | IC50 | 5.68 | 5.42 | 2100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lethal factor | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of Bacillus anthracis Lethal factor after 10 mins by mobility shift p... | 26492514 |
| Lethal factor | IC50 | = | 6900.0 | nM | 5.16 | Inhibition of Bacillus anthracis Lethal factor after 5 mins by FRET assay | 26492514 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26492514 | 10.1021/acs.jmedchem.5b01446 | Lethal factor | 2 |
Data from ChEMBL 36 via Core Engine