Compound Detail
CHEMBL423620
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Basic Information
| ChEMBL ID | CHEMBL423620 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMHJMUZTXMDMKL-SJLPKXTDSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
5.22
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.68
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.29
Ki 1 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 7.11 | 7.11 | 77.0 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 6.24 | 6.24 | 570.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 51.0 | nM | 7.29 | Antagonistic activity (IC50) against human androgen receptor (hAR) in co-transfe... | 9871534 |
| Androgen receptor | Ki | = | 77.0 | nM | 7.11 | Binding affinity against Androgen receptor transfected into COS cells | 9871534 |
| Progesterone receptor | IC50 | = | 430.0 | nM | 6.37 | Antagonistic activity against hPR in co-transfected CV-1 cell | 9871534 |
| Mineralocorticoid receptor | IC50 | = | 570.0 | nM | 6.24 | Antagonistic activity against hMR in co-transfected CV-1 cell | 9871534 |
| Glucocorticoid receptor | IC50 | = | 1400.0 | nM | 5.85 | 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