Compound Detail
CHEMBL5192080
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CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@H]3[C@H]([C@@H](C)C[C@]12C)[C@H]1CCC(=O)C=C1C[C@H]3C
Basic Information
| ChEMBL ID | CHEMBL5192080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VITDUFOVEYKVST-WMLRVYEPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
512.8
MW (Da)
9.23
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.18
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | EC50 | 8.32 | 8.32 | 4.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | EC50 | = | 4.8 | nM | 8.32 | Modulation of Androgen receptor (unknown origin) | 35063736 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35063736 | 10.1016/j.ejmech.2022.114119 | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine