Compound Detail
CHEMBL3956011
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
Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]2[C@@H]3[C@@H](O)C[C@]3(C)[C@@H](O)CC[C@@H]23)cn1
Basic Information
| ChEMBL ID | CHEMBL3956011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHOQUWOASSCOOG-FIIJTSBOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
3.83
ALogP
4
HBA
3
HBD
82.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 7.04 | 7.04 | 91.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 91.0 | nM | 7.04 | Antagonist activity at GR in human HepG2 cells assessed as inhibition of protein... | 27919657 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27919657 | 10.1016/j.bmcl.2016.11.007 | Glucocorticoid receptor | 7 |
Data from ChEMBL 36 via Core Engine