Compound Detail
CHEMBL4752271
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Basic Information
| ChEMBL ID | CHEMBL4752271 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKCQTELDEIJZRQ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
343.8
MW (Da)
3.43
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transitional endoplasmic reticulum ATPase CHEMBL1075145 | IC50 | 5.35 | 4.93 | 4500.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transitional endoplasmic reticulum ATPase | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of His6-tagged p97 (unknown origin) expressed in Escherichia coli BL2... | 33476933 |
| Transitional endoplasmic reticulum ATPase | IC50 | = | 31000.0 | nM | 4.51 | Inhibition of p97 in human HeLa cells assessed as reduction in proteasomal turno... | 33476933 |
| Unchecked | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of yeast Cdc48 T532C mutant assessed as reduction in ATPase activity ... | 33476933 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33476933 | 10.1016/j.ejmech.2020.113148 | Transitional endoplasmic reticulum ATPase | 2 |
| 33476933 | 10.1016/j.ejmech.2020.113148 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine