Compound Detail
CHEMBL236699
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C[C@]12CCC(=O)C[C@@H]1C[C@@H](CCCCCCCCC(CCCC(F)(F)C(F)(F)F)C(=O)O)[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL236699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZBFKSCMIOVNQI-JQMCXUQFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
620.8
MW (Da)
9.37
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.15
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 410.0 | nM | 6.39 | Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 c... | 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