Compound Detail
CHEMBL4228358
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Basic Information
| ChEMBL ID | CHEMBL4228358 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXRZRJUYOZHPPY-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
291.3
MW (Da)
3.33
ALogP
4
HBA
0
HBD
57.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.0
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 9930.0 | nM | 5.0 | Antiproliferative activity against human MCF7 cells after 72 hrs by MTT assay | 29519603 |
| BJ | IC50 | = | 44500.0 | nM | 4.35 | Antiproliferative activity against human BJ cells after 72 hrs by MTT assay | 29519603 |
| HeLa | IC50 | = | 54740.0 | nM | 4.26 | Antiproliferative activity against human HeLa cells after 72 hrs by MTT assay | 29519603 |
| HepG2 | IC50 | = | 61460.0 | nM | 4.21 | Antiproliferative activity against human HepG2 cells after 72 hrs by MTT assay | 29519603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29519603 | 10.1016/j.bmc.2018.02.045 | MCF7 | 1 |
| 29519603 | 10.1016/j.bmc.2018.02.045 | SW-620 | 1 |
| 29519603 | 10.1016/j.bmc.2018.02.045 | HepG2 | 1 |
| 29519603 | 10.1016/j.bmc.2018.02.045 | HeLa | 1 |
| 29519603 | 10.1016/j.bmc.2018.02.045 | BJ | 1 |
Data from ChEMBL 36 via Core Engine