Compound Detail
CHEMBL1916254
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CN(C)C(=O)Cn1ccc(C(=O)N[C@H]2C(C)(C)[C@H](Oc3ccc(C#N)c(Cl)c3)C2(C)C)n1
Basic Information
| ChEMBL ID | CHEMBL1916254 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQRYLDCZCTUJSL-MEMLXQNLSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
458.0
MW (Da)
3.11
ALogP
6
HBA
1
HBD
100.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 6.76 | 6.76 | 174.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 15.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 174.0 | nM | 6.76 | Antagonist activity at human AR overexpressed in human LNCAP cells by luciferase... | 21936524 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21936524 | 10.1021/jm201059s | Androgen receptor | 2 |
| 21936524 | 10.1021/jm201059s | Liver microsomes | 1 |
| 21936524 | 10.1021/jm201059s | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine