Compound Detail
CHEMBL348495
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CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCOCCOCCOCc1ccc(O)c(C(N)=O)c1
Basic Information
| ChEMBL ID | CHEMBL348495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTAVVPKFNJLONT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
578.5
MW (Da)
3.18
ALogP
8
HBA
2
HBD
155.4
PSA (Ų)
0.27
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 6.48 | 6.48 | 332.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 332.0 | nM | 6.48 | Inhibition of 1.0 nM [3H]mibolerone binding to human androgen receptor of PC3/AR... | 14613328 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14613328 | 10.1021/jm0303305 | Androgen receptor | 2 |
Data from ChEMBL 36 via Core Engine