Compound Detail
CHEMBL3775752
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Basic Information
| ChEMBL ID | CHEMBL3775752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGQHIUNZKLGBMZ-DJKKODMXSA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
4.64
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.4
IC50 1 meas. best 8.7
Ki 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | IC50 | = | 2.0 | nM | 8.7 | Antagonist activity against 6xHis-MBP-fused human MR LBD domain (732 to 984 amin... | 26897089 |
| Mineralocorticoid receptor | Ki | = | 2.0 | nM | 8.7 | Displacement of 3H-Cortisol from 6xHis-MBP-fused human MR LBD domain (732 to 984... | 26897089 |
| Mineralocorticoid receptor | EC50 | = | 4.0 | nM | 8.4 | Agonist activity against 6xHis-MBP-fused human MR LBD domain (732 to 984 amino a... | 26897089 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26897089 | 10.1016/j.bmc.2016.02.014 | Mineralocorticoid receptor | 5 |
| 26897089 | 10.1016/j.bmc.2016.02.014 | 5-hydroxytryptamine receptor 2B | 1 |
| 26897089 | 10.1016/j.bmc.2016.02.014 | Histamine H1 receptor | 1 |
| 26897089 | 10.1016/j.bmc.2016.02.014 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 26897089 | 10.1016/j.bmc.2016.02.014 | Alpha-2A adrenergic receptor | 1 |
| 26897089 | 10.1016/j.bmc.2016.02.014 | Androgen receptor | 1 |
| 26897089 | 10.1016/j.bmc.2016.02.014 | Glucocorticoid receptor | 1 |
| 26897089 | 10.1016/j.bmc.2016.02.014 | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine