Compound Detail
CHEMBL4741767
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COC(=O)Nc1ccc(-c2cnn(C[C@](C)(O)C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL4741767 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXEJFDURWZZNCJ-QFIPXVFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
487.4
MW (Da)
4.01
ALogP
7
HBA
3
HBD
129.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 6.08 | 6.08 | 827.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 827.0 | nM | 6.08 | Antagonist activity at recombinant human AR expressed in HEK293 cells assessed a... | 33095584 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33095584 | 10.1021/acs.jmedchem.0c00943 | Androgen receptor | 2 |
Data from ChEMBL 36 via Core Engine