Compound Detail
CHEMBL201868
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL201868 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGNDHTMCXOFNMS-SSDOTTSWSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
0.31
ALogP
4
HBA
3
HBD
95.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lethal factor CHEMBL4372 | IC50 | 6.89 | 6.1675 | 130.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lethal factor | IC50 | = | 130.0 | nM | 6.89 | Inhibition of LF by FRET assay | 16338135 |
| Lethal factor | IC50 | = | 500.0 | nM | 6.3 | Inhibition of Bacillus anthracis Lethal factor after 10 mins by mobility shift p... | 26492514 |
| Lethal factor | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of Bacillus anthracis Lethal factor after 5 mins by FRET assay | 26492514 |
| Lethal factor | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of LF by MACK assay | 16338135 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16338135 | 10.1016/j.bmcl.2005.10.088 | Lethal factor | 2 |
| 26492514 | 10.1021/acs.jmedchem.5b01446 | Lethal factor | 2 |
Data from ChEMBL 36 via Core Engine