Compound Detail
CHEMBL4877447
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CC#CC(=O)Nc1cccc2c1cc(C)n2-c1nc2c(c(NCc3cccc(B(O)O)c3)n1)COCC2
Basic Information
| ChEMBL ID | CHEMBL4877447 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJGYLJZZLVLATJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
495.4
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transitional endoplasmic reticulum ATPase CHEMBL1075145 | IC50 | 6.93 | 6.93 | 117.0 | 1 |
| RPMI-8226 CHEMBL614882 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transitional endoplasmic reticulum ATPase | IC50 | = | 117.0 | nM | 6.93 | Inhibition of p97 (unknown origin) incubated for 60 mins by ADP-Glo assay | 33831696 |
| RPMI-8226 | IC50 | = | 2900.0 | nM | 5.54 | Cytotoxicity against human RPMI-8226 cells assessed as reduction in cell viabili... | 33831696 |
| A549 | IC50 | = | 4100.0 | nM | 5.39 | Cytotoxicity against human A549 cells assessed as reduction in cell viability in... | 33831696 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33831696 | 10.1016/j.bmc.2021.116114 | Transitional endoplasmic reticulum ATPase | 1 |
| 33831696 | 10.1016/j.bmc.2021.116114 | RPMI-8226 | 1 |
| 33831696 | 10.1016/j.bmc.2021.116114 | A549 | 1 |
Data from ChEMBL 36 via Core Engine