Compound Detail
CHEMBL371463
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Basic Information
| ChEMBL ID | CHEMBL371463 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPQFYIAXQDXNOR-QDKLYSGJSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
3.37
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.22
EC50 1 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | EC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Vero CHEMBL391 | IC50 | 4.22 | 4.22 | 60330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor subfamily 1 group I member 2 | EC50 | = | 14000.0 | nM | 4.85 | Activation of PXR (unknown origin) | 34003642 |
| Vero | IC50 | = | 60330.0 | nM | 4.22 | Cytotoxicity against African green monkey Vero cells assessed as reduction in ce... | 27311894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27311894 | 10.1016/j.bmcl.2016.06.007 | MCF7 | 2 |
| 34003642 | 10.1021/acs.jmedchem.0c02245 | Nuclear receptor subfamily 1 group I member 2 | 2 |
| 27311894 | 10.1016/j.bmcl.2016.06.007 | KB | 1 |
| 27311894 | 10.1016/j.bmcl.2016.06.007 | Vero | 1 |
Data from ChEMBL 36 via Core Engine