Compound Detail
CHEMBL541908
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Basic Information
| ChEMBL ID | CHEMBL541908 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKAWXLKLBCDEQW-UHFFFAOYSA-N |
| Parent Compound | CHEMBL395506 |
| Active Moiety | CHEMBL395506 |
4
Targets
4
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
367.5
MW (Da)
5.68
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.67
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Fibroblast CHEMBL613838 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.1 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 40.0 | nM | 7.4 | Displacement of Dexamethasone from human glucocorticoid receptor by fluorescence... | 17681466 |
| Progesterone receptor | IC50 | = | 170.0 | nM | 6.77 | Displacement of RU486 from human progesterone receptor by fluorescence polarizat... | 17681466 |
| Fibroblast | IC50 | = | 170.0 | nM | 6.77 | Inhibition of IL1-induced IL6 production in foreskin fibroblasts after 24 hrs | 17681466 |
| Mineralocorticoid receptor | IC50 | = | 1100.0 | nM | 5.96 | Displacement of Dexamethasone from human mineralocorticoid receptor by fluoresce... | 17681466 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17681466 | 10.1016/j.bmcl.2007.07.021 | Fibroblast | 2 |
| 17681466 | 10.1016/j.bmcl.2007.07.021 | Glucocorticoid receptor | 1 |
| 17681466 | 10.1016/j.bmcl.2007.07.021 | Progesterone receptor | 1 |
| 17681466 | 10.1016/j.bmcl.2007.07.021 | Mineralocorticoid receptor | 1 |
| 17681466 | 10.1016/j.bmcl.2007.07.021 | Estrogen receptor | 1 |
| 17681466 | 10.1016/j.bmcl.2007.07.021 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine