Compound Detail
CHEMBL1914477
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Cc1cc(C(=O)N[C@H]2C(C)(C)[C@H](Oc3ccc(C#N)c(Cl)c3)C2(C)C)nn1C
Basic Information
| ChEMBL ID | CHEMBL1914477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWPHEGPKWIUWHE-WGSAOQKQSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
400.9
MW (Da)
3.87
ALogP
5
HBA
1
HBD
79.9
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 40.0 | 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 | = | 54.0 | nM | 7.27 | 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 |
Data from ChEMBL 36 via Core Engine