Compound Detail
CHEMBL485743
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Basic Information
| ChEMBL ID | CHEMBL485743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBNJLAPERJEQAO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
3.90
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | EC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | EC50 | = | 3000.0 | nM | 5.52 | Cytotoxicity against HEK293 cells | 18973326 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18973326 | 10.1021/jm800337r | Nuclear receptor subfamily 1 group I member 3 | 39 |
| 18973326 | 10.1021/jm800337r | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine