Compound Detail
CHEMBL407848
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Basic Information
| ChEMBL ID | CHEMBL407848 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIOOLNRTWPFVHX-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
23
PK Parameters
12
Publications
0
Known Names
Molecular Properties
283.3
MW (Da)
2.93
ALogP
3
HBA
1
HBD
57.8
PSA (Ų)
0.87
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | IC50 | 8.39 | 8.345 | 4.1 | 2 |
| Androgen receptor CHEMBL1871 | IC50 | 6.71 | 6.71 | 196.0 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 578.0 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 2358.0 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 5738.0 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 1978.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 4650.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 7149.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 7.0 | mL.min-1.kg-1 | Macaca fascicularis |
| CL | 7.0 | mL.min-1.kg-1 | Macaca fascicularis |
| CL | 4.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 4.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 631.82 | nM | Macaca fascicularis |
| Cmax | 1461.3 | nM | Rattus norvegicus |
| F | 49.0 | % | Macaca fascicularis |
| F | 31.0 | % | Rattus norvegicus |
| T1/2 | 0.5 | hr | Rattus norvegicus |
| T1/2 | 0.5 | hr | Macaca fascicularis |
| T1/2 | 0.5 | hr | Homo sapiens |
| T1/2 | 9.5 | hr | Rattus norvegicus |
| T1/2 | 8.8 | hr | Macaca fascicularis |
| T1/2 | 7.8 | hr | Macaca fascicularis |
| T1/2 | 15.7 | hr | Macaca fascicularis |
| T1/2 | 9.4 | hr | Rattus norvegicus |
| T1/2 | 9.3 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | IC50 | = | 4.1 | nM | 8.39 | Displacement of [3H]R5020 from human PR in human T47D cells by whole cell assay | 18318463 |
| Progesterone receptor | IC50 | = | 5.0 | nM | 8.3 | Antagonist activity at human PR expressed in human T47D cells assessed as inhibi... | 18318463 |
| Androgen receptor | IC50 | = | 196.0 | nM | 6.71 | Antagonist activity at human AR ligand binding domain expressed in african green... | 18318463 |
| Mineralocorticoid receptor | IC50 | = | 3700.0 | nM | 5.43 | Antagonist activity at human MR ligand binding domain expressed in african green... | 18318463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18318463 | 10.1021/jm701080t | Cynomolgus monkey | 17 |
| 18318463 | 10.1021/jm701080t | Rattus norvegicus | 15 |
| 18318463 | 10.1021/jm701080t | Rhesus monkey | 8 |
| 18318463 | 10.1021/jm701080t | Liver microsomes | 2 |
| 18318463 | 10.1021/jm701080t | Progesterone receptor | 2 |
| 18318463 | 10.1021/jm701080t | Androgen receptor | 2 |
| 18318463 | 10.1021/jm701080t | Glucocorticoid receptor | 2 |
| 18318463 | 10.1021/jm701080t | Mineralocorticoid receptor | 2 |
| 18318463 | 10.1021/jm701080t | Estrogen receptor | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| 18318463 | 10.1021/jm701080t | ADMET | 1 |
| 18318463 | 10.1021/jm701080t | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine