Compound Detail
CHEMBL393319
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@]12CCC(=O)C[C@@H]1C[C@@H](CCCCCCCCCC(=O)O)[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL393319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GEBZVFIRTDLBNY-VPOZCLCWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
460.7
MW (Da)
6.78
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 6.46 | 6.25 | 350.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 350.0 | nM | 6.46 | Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 c... | 17804229 |
| Androgen receptor | IC50 | = | 920.0 | nM | 6.04 | Antagonist activity at human androgen receptor expressed in HeLa cells assessed ... | 17804229 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17804229 | 10.1016/j.bmcl.2007.07.090 | Androgen receptor | 3 |
Data from ChEMBL 36 via Core Engine