Compound Detail
CHEMBL3696917
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Basic Information
| ChEMBL ID | CHEMBL3696917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTAFCKBNFZHBAS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
383.5
MW (Da)
4.37
ALogP
5
HBA
2
HBD
68.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transitional endoplasmic reticulum ATPase CHEMBL1075145 | IC50 | 6.82 | 6.82 | 153.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transitional endoplasmic reticulum ATPase | IC50 | = | 153.0 | nM | 6.82 | Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence ass... | 26565666 |
| A549 | IC50 | = | 4700.0 | nM | 5.33 | Cytotoxicity against human A549 cells assessed as cell viability after 72 hrs by... | 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