Compound Detail
CHEMBL161892
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Basic Information
| ChEMBL ID | CHEMBL161892 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCZDFWOPLACFDA-QMTHXVAHSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
4.03
ALogP
3
HBA
0
HBD
25.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.44
Ki 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 10.0 | nM | 8.0 | Binding affinity against Androgen receptor transfected into COS cells | 9871534 |
| Androgen receptor | IC50 | = | 36.0 | nM | 7.44 | Antagonistic activity (IC50) against human androgen receptor (hAR) in co-transfe... | 9871534 |
| Progesterone receptor | IC50 | = | 1000.0 | nM | 6.0 | Antagonistic activity against hPR in co-transfected CV-1 cell | 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