Compound Detail
CHEMBL310180
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Basic Information
| ChEMBL ID | CHEMBL310180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMPXVMMQXKFIHM-UTKZUKDTSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
4.19
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 8.22 | 8.22 | 6.0 | 2 |
| Androgen receptor CHEMBL1871 | Ki | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 5.96 | nM | 8.22 | Displacement of 10 nM [3H]dexamethasone from human Glucocorticoid receptor | 12036351 |
| Glucocorticoid receptor | Ki | = | 6.0 | nM | 8.22 | Displacement of [3H]DEX from human glucocorticoid receptor | 20334371 |
| Androgen receptor | Ki | = | 1300.0 | nM | 5.89 | Displacement of [3H]DHT from human Androgen receptor | 12036351 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12036351 | 10.1021/jm0105530 | Glucocorticoid receptor | 2 |
| 12036351 | 10.1021/jm0105530 | Progesterone receptor | 2 |
| 20334371 | 10.1021/jm901452y | Glucocorticoid receptor | 2 |
| 12036351 | 10.1021/jm0105530 | Androgen receptor | 1 |
| 12036351 | 10.1021/jm0105530 | Estrogen receptor | 1 |
| 12036351 | 10.1021/jm0105530 | Estrogen receptor beta | 1 |
| 12036351 | 10.1021/jm0105530 | Mineralocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine