Compound Detail
CHEMBL1916412
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Basic Information
| ChEMBL ID | CHEMBL1916412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZLHNQPBBYMKKJ-WGSAOQKQSA-N |
2
Targets
2
Activities
1
Assay Types
5
PK Parameters
12
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
2.92
ALogP
7
HBA
1
HBD
105.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 6.84 | 6.84 | 144.0 | 1 |
| LNCaP CHEMBL612518 | IC50 | 6.84 | 6.84 | 144.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 8.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 11.6 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 31.0 | % | Rattus norvegicus |
| Fu | 0.62 | uM | Mus musculus |
| T1/2 | 3.6 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 144.0 | nM | 6.84 | Antagonist activity at human AR overexpressed in human LNCAP cells by luciferase... | 21936524 |
| LNCaP | IC50 | = | 144.0 | nM | 6.84 | Antiproliferative activity against human LNCaP cells | 35786895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21936524 | 10.1021/jm201059s | LNCaP | 4 |
| 21955208 | 10.1021/jm2010942 | Rattus norvegicus | 3 |
| 21955208 | 10.1021/jm2010942 | Aldehyde oxidase | 3 |
| 21936524 | 10.1021/jm201059s | Androgen receptor | 2 |
| 35786895 | 10.1021/acs.jmedchem.2c00716 | LNCaP | 2 |
| 21936524 | 10.1021/jm201059s | Liver microsomes | 1 |
| 21936524 | 10.1021/jm201059s | DU-145 | 1 |
| 21936524 | 10.1021/jm201059s | No relevant target | 1 |
| 21936524 | 10.1021/jm201059s | Plasma | 1 |
| 21936524 | 10.1021/jm201059s | Mus musculus | 1 |
| 21955208 | 10.1021/jm2010942 | Liver microsomes | 1 |
| 21955208 | 10.1021/jm2010942 | Hepatocyte | 1 |
Data from ChEMBL 36 via Core Engine