Compound Detail
CHEMBL4100251
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Basic Information
| ChEMBL ID | CHEMBL4100251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZJIFCWNSZSYGZ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
243.2
MW (Da)
2.18
ALogP
5
HBA
1
HBD
92.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.63
IC50 1 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
| Androgen receptor CHEMBL1871 | EC50 | 6.63 | 6.63 | 233.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 65.0 | nM | 7.19 | Displacement of [3H]mibolerone from human androgen receptor expressed in African... | 28696695 |
| Androgen receptor | EC50 | = | 233.0 | nM | 6.63 | 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