Compound Detail
CHEMBL4646130
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Basic Information
| ChEMBL ID | CHEMBL4646130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUVZRHVFMFADBQ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
5.30
ALogP
4
HBA
2
HBD
70.4
PSA (Ų)
0.42
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.35
Kd 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stress-70 protein, mitochondrial CHEMBL4295757 | Kd | 6.3 | 6.3 | 500.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stress-70 protein, mitochondrial | Kd | = | 500.0 | nM | 6.3 | Binding affinity to mortalin substrate binding domain (unknown origin) | 31831296 |
| A2780 | IC50 | = | 4500.0 | nM | 5.35 | 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