Compound Detail
CHEMBL3093450
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Basic Information
| ChEMBL ID | CHEMBL3093450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKBQDIAWGDKQHW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
435.5
MW (Da)
4.42
ALogP
3
HBA
2
HBD
85.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | IC50 | = | 210.0 | nM | 6.68 | Binding affinity to mineralocorticoid receptor (unknown origin) by fluorescence ... | 24215891 |
| Glucocorticoid receptor | IC50 | = | 320.0 | nM | 6.5 | Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknow... | 24215891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24215891 | 10.1016/j.bmcl.2013.10.052 | Glucocorticoid receptor | 3 |
| 24215891 | 10.1016/j.bmcl.2013.10.052 | Unchecked | 1 |
| 24215891 | 10.1016/j.bmcl.2013.10.052 | Progesterone receptor | 1 |
| 24215891 | 10.1016/j.bmcl.2013.10.052 | Mineralocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine