Compound Detail
CHEMBL463867
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Basic Information
| ChEMBL ID | CHEMBL463867 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJQFWAMQIIEJSZ-JMQWPVDRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
5.09
ALogP
5
HBA
1
HBD
65.6
PSA (Ų)
0.56
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 5.09 | 5.09 | 8160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 8160.0 | nM | 5.09 | Antiproliferative activity against human MCF7 cells after 72 hrs by MTS-PMS assa... | 19019687 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19019687 | 10.1016/j.bmc.2008.10.057 | MCF7 | 1 |
| 19019687 | 10.1016/j.bmc.2008.10.057 | SK-BR-3 | 1 |
Data from ChEMBL 36 via Core Engine