Compound Detail
CHEMBL3666819
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)NC3CCS(=O)(=O)C3)c2)c1)c1ccc2c(c1)OCCO2
Basic Information
| ChEMBL ID | CHEMBL3666819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPLFURZOENDKIP-QMQODZDESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
654.7
MW (Da)
3.99
ALogP
9
HBA
2
HBD
137.8
PSA (Ų)
0.28
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 9.18 | 9.18 | 0.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 0.663 | nM | 9.18 | Radioligand Binding Assay: In the GR radioligand binding assay, test compounds w... | - |
| Glucocorticoid receptor | IC50 | = | 0.663 | nM | 9.18 | Radioligand Binding Assay: In the GR radioligand binding assay, test compounds w... | - |
Data from ChEMBL 36 via Core Engine