Compound Detail
CHEMBL3809725
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Basic Information
| ChEMBL ID | CHEMBL3809725 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOTMDXCJBPBGJD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
165.2
MW (Da)
-1.02
ALogP
7
HBA
0
HBD
72.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BeWo CHEMBL614525 | IC50 | 6.21 | 6.21 | 610.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.32 | 5.32 | 4840.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.11 | 5.11 | 7760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BeWo | IC50 | = | 610.0 | nM | 6.21 | Cytotoxicity against human Bewo cells assessed as cell growth inhibition after 7... | 27184766 |
| NON-PROTEIN TARGET | IC50 | = | 4840.0 | nM | 5.32 | Cytotoxicity against human HL60 cells assessed as cell growth inhibition after 7... | 27184766 |
| MCF7 | IC50 | = | 7760.0 | nM | 5.11 | Cytotoxicity against human MCF7 cells assessed as cell growth inhibition after 7... | 27184766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27184766 | 10.1016/j.bmcl.2016.05.007 | BeWo | 1 |
| 27184766 | 10.1016/j.bmcl.2016.05.007 | MCF7 | 1 |
| 27184766 | 10.1016/j.bmcl.2016.05.007 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine