Compound Detail
CHEMBL3939447
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Basic Information
| ChEMBL ID | CHEMBL3939447 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSOYYBRZDOKCSB-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
1.44
ALogP
5
HBA
2
HBD
111.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 6.57 | 6.4033 | 270.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | IC50 | = | 270.0 | nM | 6.57 | Binding Assay: Test A1: Briefly, in Test A1 the assay was run in 384 well format... | - |
| Mineralocorticoid receptor | IC50 | = | 480.0 | nM | 6.32 | Binding Assay: Test A1: Briefly, in Test A1 the assay was run in 384 well format... | - |
| Mineralocorticoid receptor | IC50 | = | 480.0 | nM | 6.32 | scintillation proximity assay (SPA): Test A1 and A2: In order to identify bindin... | - |
Data from ChEMBL 36 via Core Engine