Compound Detail
CHEMBL4095208
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4095208 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFBFZSFLAOADHS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
476.4
MW (Da)
7.82
ALogP
6
HBA
0
HBD
71.1
PSA (Ų)
0.21
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | EC50 | 6.54 | 6.54 | 290.0 | 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 | = | 290.0 | nM | 6.54 | Activation of PXR in human LS180 cells assessed as P-gp induction by measuring i... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C6MD00300A | No relevant target | 4 |
| - | 10.1039/C6MD00300A | Nuclear receptor subfamily 1 group I member 2 | 3 |
| - | 10.1039/C6MD00300A | LS180 | 2 |
Data from ChEMBL 36 via Core Engine