Compound Detail
CHEMBL507307
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Basic Information
| ChEMBL ID | CHEMBL507307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYEVCPHBAXJOAS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
243.3
MW (Da)
2.51
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.89 | 4.87 | 12900.0 | 2 |
| T47D CHEMBL614361 | IC50 | 4.39 | 4.39 | 40300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 12900.0 | nM | 4.89 | Cytotoxicity against human HCT116 cells after 72 hrs by SRB assay | 25462277 |
| NON-PROTEIN TARGET | IC50 | = | 14200.0 | nM | 4.85 | Cytotoxicity against human HuH7 cells after 72 hrs by SRB assay | 25462277 |
| T47D | IC50 | = | 40300.0 | nM | 4.39 | Cytotoxicity against human T47D cells after 72 hrs by SRB assay | 25462277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19150600 | 10.1016/j.bmc.2008.12.050 | Staphylococcus aureus | 3 |
| 25462277 | 10.1016/j.ejmech.2014.10.080 | NON-PROTEIN TARGET | 2 |
| 19150600 | 10.1016/j.bmc.2008.12.050 | Escherichia coli | 1 |
| 19150600 | 10.1016/j.bmc.2008.12.050 | Bacillus subtilis | 1 |
| 19150600 | 10.1016/j.bmc.2008.12.050 | Candida albicans | 1 |
| 25462277 | 10.1016/j.ejmech.2014.10.080 | T47D | 1 |
Data from ChEMBL 36 via Core Engine