Compound Detail
CHEMBL5557813
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N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)c3ccc(N4CCC(CC5CN(CCCC(F)(F)C(F)(F)F)C5)CC4)nn3)CC2)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL5557813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEJQCTSMNQMUBY-SOAUALDESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
669.1
MW (Da)
6.64
ALogP
7
HBA
1
HBD
94.4
PSA (Ų)
0.27
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 8.02 | 7.265 | 9.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 9.51 | nM | 8.02 | Binding affinity to human androgen receptor transfected in HEK293 cell membrane ... | 38626524 |
| Androgen receptor | IC50 | = | 311.27 | nM | 6.51 | Antagonist activity at androgen receptor (unknown origin) transfected in HEK293T... | 38626524 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38626524 | 10.1016/j.ejmech.2024.116400 | Androgen receptor | 2 |
| 38626524 | 10.1016/j.ejmech.2024.116400 | LNCaP | 1 |
| 38626524 | 10.1016/j.ejmech.2024.116400 | CWR22R | 1 |
Data from ChEMBL 36 via Core Engine