Compound Detail
CHEMBL1215197
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Basic Information
| ChEMBL ID | CHEMBL1215197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGKCAKXTJGJFBV-JOCHJYFZSA-N |
2
Targets
4
Activities
1
Assay Types
6
PK Parameters
13
Publications
0
Known Names
Molecular Properties
437.9
MW (Da)
5.48
ALogP
5
HBA
1
HBD
85.9
PSA (Ų)
0.65
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 8.22 | 7.905 | 6.0 | 2 |
| Progesterone receptor CHEMBL208 | IC50 | 5.7 | 5.7 | 2010.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 5.5 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 9.2 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 83.0 | % | Rattus norvegicus |
| F | 50.0 | % | Rattus norvegicus |
| T1/2 | 1.3 | hr | Rattus norvegicus |
| T1/2 | 2.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | IC50 | = | 6.0 | nM | 8.22 | Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human... | 20672822 |
| Mineralocorticoid receptor | IC50 | = | 25.6 | nM | 7.59 | Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based... | 24738581 |
| Progesterone receptor | IC50 | = | 2010.0 | nM | 5.7 | Antagonist activity at progesterone receptor | 20672822 |
| Progesterone receptor | IC50 | = | 2010.0 | nM | 5.7 | Antagonist activity at progesterone receptor (unknown origin) by Gal4-based cell... | 24738581 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20672822 | 10.1021/jm100505n | Rattus norvegicus | 8 |
| 20672822 | 10.1021/jm100505n | Unchecked | 3 |
| 24738581 | 10.1021/jm500206r | No relevant target | 2 |
| 20672822 | 10.1021/jm100505n | Mineralocorticoid receptor | 1 |
| 20672822 | 10.1021/jm100505n | Androgen receptor | 1 |
| 20672822 | 10.1021/jm100505n | Glucocorticoid receptor | 1 |
| 20672822 | 10.1021/jm100505n | Progesterone receptor | 1 |
| 20672822 | 10.1021/jm100505n | Estrogen receptor | 1 |
| 24738581 | 10.1021/jm500206r | Mineralocorticoid receptor | 1 |
| 24738581 | 10.1021/jm500206r | Unchecked | 1 |
| 24738581 | 10.1021/jm500206r | Progesterone receptor | 1 |
| 24738581 | 10.1021/jm500206r | Glucocorticoid receptor | 1 |
| 24738581 | 10.1021/jm500206r | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine