Compound Detail
CHEMBL3774512
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Basic Information
| ChEMBL ID | CHEMBL3774512 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYAWCTLGJUXTGK-VCHYOVAHSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
4.88
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Ki 1 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | Ki | 7.26 | 7.26 | 55.0 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 5.8 | 5.8 | 1573.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | Ki | = | 55.0 | nM | 7.26 | Displacement of 3H-Cortisol from 6xHis-MBP-fused human MR LBD domain (732 to 984... | 26897089 |
| Mineralocorticoid receptor | IC50 | = | 1573.0 | nM | 5.8 | Antagonist activity against 6xHis-MBP-fused human MR LBD domain (732 to 984 amin... | 26897089 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26897089 | 10.1016/j.bmc.2016.02.014 | Mineralocorticoid receptor | 3 |
Data from ChEMBL 36 via Core Engine