Compound Detail
CHEMBL4450581
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Basic Information
| ChEMBL ID | CHEMBL4450581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDMRXIDIJWESIK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
461.6
MW (Da)
4.93
ALogP
7
HBA
1
HBD
64.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transitional endoplasmic reticulum ATPase CHEMBL1075145 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transitional endoplasmic reticulum ATPase | IC50 | = | 7.0 | nM | 8.15 | Inhibition of p97 (unknown origin) assessed as reduction in ATPase activity by b... | 31550150 |
| Unchecked | IC50 | = | 7.0 | nM | 8.15 | Biomol Green Assay: Biomol Green (Enzo) is a bioluminescent, homogeneous assay t... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31550150 | 10.1021/acs.jmedchem.9b01318 | Transitional endoplasmic reticulum ATPase | 1 |
Data from ChEMBL 36 via Core Engine