Compound Detail
CHEMBL4635140
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Basic Information
| ChEMBL ID | CHEMBL4635140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SAXKEWRSGLPYPB-ZETCQYMHSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
242.2
MW (Da)
2.11
ALogP
4
HBA
1
HBD
67.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| A549 CHEMBL392 | IC50 | 6.14 | 6.14 | 720.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.8 | 5.8 | 1590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 280.0 | nM | 6.55 | Cytotoxicity against human MCF7 cells assessed as reduction in cell proliferatio... | 32044231 |
| A549 | IC50 | = | 720.0 | nM | 6.14 | Cytotoxicity against human A549 cells assessed as reduction in cell proliferatio... | 32044231 |
| MDA-MB-231 | IC50 | = | 1590.0 | nM | 5.8 | Cytotoxicity against human MDA-MB-231 cells assessed as reduction in cell prolif... | 32044231 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32044231 | 10.1016/j.bmc.2020.115347 | Signal transducer and activator of transcription 3 | 5 |
| 32044231 | 10.1016/j.bmc.2020.115347 | MCF7 | 2 |
| 32044231 | 10.1016/j.bmc.2020.115347 | MDA-MB-231 | 1 |
| 32044231 | 10.1016/j.bmc.2020.115347 | A549 | 1 |
Data from ChEMBL 36 via Core Engine