Compound Detail
CHEMBL3986656
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Basic Information
| ChEMBL ID | CHEMBL3986656 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBKYLPOPYYLTNW-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
399.4
MW (Da)
1.70
ALogP
5
HBA
2
HBD
97.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 6.75 | 6.44 | 180.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | IC50 | = | 180.0 | nM | 6.75 | Binding Assay: Test A1: Briefly, in Test A1 the assay was run in 384 well format... | - |
| Mineralocorticoid receptor | IC50 | = | 180.0 | nM | 6.75 | scintillation proximity assay (SPA): Test A1 and A2: In order to identify bindin... | - |
| Mineralocorticoid receptor | IC50 | = | 740.0 | nM | 6.13 | Binding Assay: Test A2: Briefly, in Test A1 the assay was run in 384 well format... | - |
| Mineralocorticoid receptor | IC50 | = | 740.0 | nM | 6.13 | scintillation proximity assay (SPA): Test A1 and A2: In order to identify bindin... | - |
Data from ChEMBL 36 via Core Engine