Compound Detail
CHEMBL5428972
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Basic Information
| ChEMBL ID | CHEMBL5428972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKBBKKLTSASRPU-BJMVGYQFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
411.9
MW (Da)
4.80
ALogP
4
HBA
2
HBD
76.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transitional endoplasmic reticulum ATPase CHEMBL1075145 | IC50 | 5.49 | 5.49 | 3251.8 | 1 |
| U-87 MG CHEMBL614247 | IC50 | 5.0 | 5.0 | 10021.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transitional endoplasmic reticulum ATPase | IC50 | = | 3251.84 | nM | 5.49 | Covalent inhibition of p97 (unknown origin) ATPase activity incubated for 60 min... | 36634454 |
| U-87 MG | IC50 | = | 10021.33 | nM | 5.0 | Cytotoxicity against human U87 cells assessed as reduction in cell viability inc... | 36634454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36634454 | 10.1016/j.ejmech.2023.115094 | Transitional endoplasmic reticulum ATPase | 1 |
| 36634454 | 10.1016/j.ejmech.2023.115094 | U-87 MG | 1 |
Data from ChEMBL 36 via Core Engine