Compound Detail
CHEMBL4096557
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
C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N3CCC[C@@H]3C(N)=O)c2)c1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4096557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQKBJBGSERPCAE-PIVNMMCNSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
575.6
MW (Da)
4.40
ALogP
6
HBA
2
HBD
119.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 9.68 | 9.32 | 0.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 0.21 | nM | 9.68 | Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells... | 28937774 |
| Glucocorticoid receptor | IC50 | = | 1.1 | nM | 8.96 | Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition ... | 28937774 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28937774 | 10.1021/acs.jmedchem.7b01215 | Glucocorticoid receptor | 4 |
| 28937774 | 10.1021/acs.jmedchem.7b01215 | No relevant target | 2 |
| 28937774 | 10.1021/acs.jmedchem.7b01215 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine