Compound Detail
CHEMBL4648396
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Basic Information
| ChEMBL ID | CHEMBL4648396 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYLCUMDOKMCRMV-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
5.22
ALogP
3
HBA
3
HBD
64.6
PSA (Ų)
0.62
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.17
Kd 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stress-70 protein, mitochondrial CHEMBL4295757 | Kd | 6.16 | 6.16 | 700.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stress-70 protein, mitochondrial | Kd | = | 700.0 | nM | 6.16 | Binding affinity to mortalin substrate binding domain (unknown origin) | 31831296 |
| A2780 | IC50 | = | 6700.0 | nM | 5.17 | Antiproliferative activity against human A2780 cells assessed as cell growth inh... | 31831296 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31831296 | 10.1016/j.bmc.2019.115244 | A2780 | 2 |
| 31831296 | 10.1016/j.bmc.2019.115244 | Stress-70 protein, mitochondrial | 2 |
Data from ChEMBL 36 via Core Engine