Compound Detail
CHEMBL3746650
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Basic Information
| ChEMBL ID | CHEMBL3746650 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXNUKESNHXXSCU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
3.68
ALogP
6
HBA
3
HBD
92.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transitional endoplasmic reticulum ATPase CHEMBL1075145 | IC50 | 7.02 | 7.02 | 95.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transitional endoplasmic reticulum ATPase | IC50 | = | 95.0 | nM | 7.02 | Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence ass... | 26565666 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26565666 | 10.1021/acs.jmedchem.5b01346 | Transitional endoplasmic reticulum ATPase | 1 |
| 26565666 | 10.1021/acs.jmedchem.5b01346 | A549 | 1 |
Data from ChEMBL 36 via Core Engine