Compound Detail
CHEMBL2012834
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Cc1cc(C[C@H](CCCCN[C@H](Cc2ccccc2)c2ccc(F)cc2)C(=O)NO)cc(C)c1F
Basic Information
| ChEMBL ID | CHEMBL2012834 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DITLPAFLLQAISY-AHKZPQOWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
480.6
MW (Da)
5.99
ALogP
3
HBA
3
HBD
61.4
PSA (Ų)
0.17
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lethal factor CHEMBL4372 | Ki | 9.22 | 9.22 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lethal factor | Ki | = | 0.6 | nM | 9.22 | Inhibition of N-terminal 6-histine tagged Bacillus anthracis LF 263-C terminal c... | 22342144 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22342144 | 10.1016/j.bmcl.2012.01.095 | Lethal factor | 1 |
Data from ChEMBL 36 via Core Engine