Compound Detail
CHEMBL4072730
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Basic Information
| ChEMBL ID | CHEMBL4072730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IITPEARHXAJQIU-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
226.3
MW (Da)
2.89
ALogP
3
HBA
1
HBD
49.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.46
IC50 1 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 8.31 | 8.31 | 4.9 | 1 |
| Androgen receptor CHEMBL1871 | EC50 | 7.46 | 7.46 | 34.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 4.9 | nM | 8.31 | Displacement of [3H]mibolerone from human androgen receptor expressed in African... | 28696695 |
| Androgen receptor | EC50 | = | 34.6 | nM | 7.46 | Agonist activity at human androgen receptor expressed in African green monkey CV... | 28696695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28696695 | 10.1021/acs.jmedchem.7b00373 | Androgen receptor | 4 |
Data from ChEMBL 36 via Core Engine