Compound Detail
CHEMBL199122
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CCC(CC)(c1ccc(NCC(=O)C(C)(C)C)c(C)c1)c1ccc(NCC(=O)C(C)(C)C)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL199122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJCJZNBWYQMGKR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
478.7
MW (Da)
7.46
ALogP
4
HBA
2
HBD
58.2
PSA (Ų)
0.37
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL3056 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 1000.0 | nM | 6.0 | Androgen antagonistic activity as inhibitory concentration against testosterone-... | 16019211 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16019211 | 10.1016/j.bmcl.2005.06.044 | Androgen receptor | 2 |
| 16019211 | 10.1016/j.bmcl.2005.06.044 | Vitamin D3 receptor | 1 |
| 16019211 | 10.1016/j.bmcl.2005.06.044 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine