Compound Detail
CHEMBL253106
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Basic Information
| ChEMBL ID | CHEMBL253106 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEJKCHSWUQRZRU-YOPNLDQXSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
399.4
MW (Da)
2.71
ALogP
7
HBA
2
HBD
111.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vero CHEMBL391 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vero | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of uninfected african green monkey Vero cells | 17905587 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17905587 | 10.1016/j.bmc.2007.09.025 | Toxoplasma gondii | 7 |
| 17905587 | 10.1016/j.bmc.2007.09.025 | Candida | 2 |
| 17905587 | 10.1016/j.bmc.2007.09.025 | Vero | 1 |
| 17905587 | 10.1016/j.bmc.2007.09.025 | Staphylococcus aureus | 1 |
| 17905587 | 10.1016/j.bmc.2007.09.025 | Bacillus subtilis | 1 |
| 17905587 | 10.1016/j.bmc.2007.09.025 | Micrococcus luteus | 1 |
| 17905587 | 10.1016/j.bmc.2007.09.025 | Escherichia coli | 1 |
| 17905587 | 10.1016/j.bmc.2007.09.025 | Klebsiella pneumoniae | 1 |
| 17905587 | 10.1016/j.bmc.2007.09.025 | Enterococcus faecalis | 1 |
| 17905587 | 10.1016/j.bmc.2007.09.025 | Mycolicibacterium phlei | 1 |
| 17905587 | 10.1016/j.bmc.2007.09.025 | Mycolicibacterium smegmatis | 1 |
| 17905587 | 10.1016/j.bmc.2007.09.025 | Mycobacterium tuberculosis | 1 |
| 17905587 | 10.1016/j.bmc.2007.09.025 | Saccharomyces cerevisiae | 1 |
| 17905587 | 10.1016/j.bmc.2007.09.025 | Candida albicans | 1 |
Data from ChEMBL 36 via Core Engine