Compound Detail
CHEMBL351447
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Basic Information
| ChEMBL ID | CHEMBL351447 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEJSGXDGPYBWNF-GDBMZVCRSA-N |
4
Targets
5
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
322.3
MW (Da)
4.59
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.14
EC50 1 meas. best 7.6
Ki 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 7.68 | 7.68 | 21.0 | 1 |
| Androgen receptor CHEMBL1871 | EC50 | 7.6 | 7.6 | 25.0 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 21.0 | nM | 7.68 | Binding affinity against Androgen receptor transfected into COS cells | 9871534 |
| Androgen receptor | EC50 | = | 25.0 | nM | 7.6 | Agonistic activity (EC50) against human androgen receptor (hAR) in co-transfecte... | 9871534 |
| Progesterone receptor | IC50 | = | 730.0 | nM | 6.14 | Antagonistic activity against hPR in co-transfected CV-1 cell | 9871534 |
| Mineralocorticoid receptor | IC50 | = | 1900.0 | nM | 5.72 | Antagonistic activity against hMR in co-transfected CV-1 cell | 9871534 |
| Glucocorticoid receptor | IC50 | = | 2100.0 | nM | 5.68 | Antagonistic activity against Glucocorticoid receptor in co-transfected CV-1 cel... | 9871534 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871534 | 10.1016/s0960-894x(98)00107-3 | Androgen receptor | 5 |
| 9871534 | 10.1016/s0960-894x(98)00107-3 | Progesterone receptor | 2 |
| 9871534 | 10.1016/s0960-894x(98)00107-3 | Glucocorticoid receptor | 2 |
| 9871534 | 10.1016/s0960-894x(98)00107-3 | Estrogen receptor | 2 |
| 9871534 | 10.1016/s0960-894x(98)00107-3 | Mineralocorticoid receptor | 2 |
Data from ChEMBL 36 via Core Engine