Compound Detail
CHEMBL3764185
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Basic Information
| ChEMBL ID | CHEMBL3764185 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXFSVKGROITHRY-TZMCWYRMSA-N |
3
Targets
4
Activities
2
Assay Types
3
PK Parameters
8
Publications
0
Known Names
Molecular Properties
264.8
MW (Da)
3.24
ALogP
3
HBA
2
HBD
56.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.69
EC50 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | EC50 | 9.3 | 9.3 | 0.5 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 8.69 | 8.69 | 2.0 | 1 |
| Progesterone receptor CHEMBL208 | Ki | 6.06 | 6.06 | 872.0 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | Ki | 5.84 | 5.84 | 1450.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 42.5 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 12.0 | ng.hr.mL-1 | Macaca fascicularis |
| Tmax | 1.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | EC50 | = | 0.499 | nM | 9.3 | Agonist activity at human androgen receptor expressed in mouse C2C12 cells cotra... | 26683992 |
| Androgen receptor | Ki | = | 2.03 | nM | 8.69 | Displacement of [3H]-methyltrienolone from androgen receptor (unknown origin) ex... | 26683992 |
| Progesterone receptor | Ki | = | 872.0 | nM | 6.06 | Displacement of [3H]-methyltrienolone from progesterone receptor (unknown origin... | 26683992 |
| Mineralocorticoid receptor | Ki | = | 1450.0 | nM | 5.84 | Displacement of [3H]-aldosterone from mineralocorticoid receptor (unknown origin... | 26683992 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26683992 | 10.1021/acs.jmedchem.5b01168 | Cynomolgus monkey | 8 |
| 26683992 | 10.1021/acs.jmedchem.5b01168 | Rattus norvegicus | 7 |
| 26683992 | 10.1021/acs.jmedchem.5b01168 | ADMET | 3 |
| 26683992 | 10.1021/acs.jmedchem.5b01168 | Unchecked | 3 |
| 26683992 | 10.1021/acs.jmedchem.5b01168 | Androgen receptor | 2 |
| 26683992 | 10.1021/acs.jmedchem.5b01168 | Progesterone receptor | 1 |
| 26683992 | 10.1021/acs.jmedchem.5b01168 | Mineralocorticoid receptor | 1 |
| 26683992 | 10.1021/acs.jmedchem.5b01168 | Glucocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine