Compound Detail
CHEMBL4065842
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Basic Information
| ChEMBL ID | CHEMBL4065842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFJPUGWMYSECAM-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
212.2
MW (Da)
2.58
ALogP
3
HBA
1
HBD
49.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.43
IC50 1 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 8.54 | 8.54 | 2.9 | 1 |
| Androgen receptor CHEMBL1871 | EC50 | 7.43 | 6.62 | 37.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 2.9 | nM | 8.54 | Displacement of [3H]mibolerone from human androgen receptor expressed in African... | 28696695 |
| Androgen receptor | EC50 | = | 37.3 | nM | 7.43 | Agonist activity at human androgen receptor expressed in African green monkey CV... | 28696695 |
| Androgen receptor | EC50 | = | 1542.6 | nM | 5.81 | Androgenic activity at human androgen receptor expressed in African green monkey... | 28696695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28696695 | 10.1021/acs.jmedchem.7b00373 | Androgen receptor | 5 |
Data from ChEMBL 36 via Core Engine