Compound Detail
CHEMBL465110
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Basic Information
| ChEMBL ID | CHEMBL465110 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOLJOYNPAHAQMV-NXZHAISVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
393.4
MW (Da)
5.05
ALogP
6
HBA
0
HBD
63.0
PSA (Ų)
0.53
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 4.22 | 4.22 | 59500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 59500.0 | nM | 4.22 | 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 |
| 20691508 | 10.1016/j.ejmech.2010.07.003 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine