Compound Detail
CHEMBL3238274
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Basic Information
| ChEMBL ID | CHEMBL3238274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URFJTFLKZYWYJR-IBGZPJMESA-N |
1
Targets
2
Activities
2
Assay Types
14
PK Parameters
11
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
2.42
ALogP
4
HBA
1
HBD
73.6
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.6
IC50 1 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | EC50 | 8.6 | 8.6 | 2.5 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 7.9 | 7.9 | 12.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1100.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 2030.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 3750.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 21.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 31000.0 | mL.min-1.g-1 | Rattus norvegicus |
| Cmax | 487.73 | nM | Rattus norvegicus |
| Cmax | 746.29 | nM | Rattus norvegicus |
| F | 37.0 | % | Rattus norvegicus |
| F | 100.0 | % | Rattus norvegicus |
| T1/2 | 5.0 | hr | Rattus norvegicus |
| T1/2 | 6.0 | hr | Rattus norvegicus |
| T1/2 | 5.0 | hr | Rattus norvegicus |
| Tmax | 4.0 | hr | Rattus norvegicus |
| Tmax | 8.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | EC50 | = | 2.5 | nM | 8.6 | Agonist activity at human AR expressed in CV1 cells after 17 hrs by luciferase r... | 24527807 |
| Androgen receptor | IC50 | = | 12.7 | nM | 7.9 | Displacement of [3H]mibolerone from full length human AR expressed in COS cells ... | 24527807 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24527807 | 10.1021/jm401625b | Rattus norvegicus | 24 |
| 24527807 | 10.1021/jm401625b | Androgen receptor | 3 |
| 24527807 | 10.1021/jm401625b | No relevant target | 1 |
| 24527807 | 10.1021/jm401625b | Liver microsome | 1 |
| 24527807 | 10.1021/jm401625b | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 24527807 | 10.1021/jm401625b | ADMET | 1 |
| 24527807 | 10.1021/jm401625b | Cytochrome P450 1A2 | 1 |
| 24527807 | 10.1021/jm401625b | Cytochrome P450 2C8 | 1 |
| 24527807 | 10.1021/jm401625b | Cytochrome P450 2C9 | 1 |
| 24527807 | 10.1021/jm401625b | Cytochrome P450 2D6 | 1 |
| 24527807 | 10.1021/jm401625b | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine