Compound Detail
CHEMBL3741446
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Basic Information
| ChEMBL ID | CHEMBL3741446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCMGDNMMLIJSQA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
290.2
MW (Da)
4.73
ALogP
2
HBA
0
HBD
12.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.98
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 10500.0 | nM | 4.98 | Cytotoxicity against human MCF7 cells assessed as cell death after 24 hrs by MTT... | 26590102 |
| HeLa | IC50 | = | 17400.0 | nM | 4.76 | Cytotoxicity against human HeLa cells assessed as cell death after 24 hrs by MTT... | 26590102 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26590102 | 10.1016/j.bmcl.2015.10.087 | MCF7 | 1 |
| 26590102 | 10.1016/j.bmcl.2015.10.087 | HeLa | 1 |
| 26590102 | 10.1016/j.bmcl.2015.10.087 | Staphylococcus aureus | 1 |
| 26590102 | 10.1016/j.bmcl.2015.10.087 | Escherichia coli | 1 |
| 26590102 | 10.1016/j.bmcl.2015.10.087 | Bacillus subtilis | 1 |
| 26590102 | 10.1016/j.bmcl.2015.10.087 | Salmonella | 1 |
| 32739649 | 10.1016/j.ejmech.2020.112556 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine