Compound Detail
CHEMBL4068946
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4068946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCODDYHHQZPAJY-ZANVPECISA-N |
1
Targets
2
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
250.7
MW (Da)
2.56
ALogP
3
HBA
1
HBD
47.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 9.49 | 9.385 | 0.3 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 930.6 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 9.683 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 53.4 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 0.32 | nM | 9.49 | Agonist activity at androgen receptor (unknown origin) expressed in African gree... | 28363748 |
| Androgen receptor | IC50 | = | 0.52 | nM | 9.28 | Displacement of [17-alpha-methyl-H-3] mibolerone from wild-type androgen recepto... | 28363748 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28363748 | 10.1016/j.bmcl.2017.03.038 | Rattus norvegicus | 5 |
| 28363748 | 10.1016/j.bmcl.2017.03.038 | Androgen receptor | 2 |
| 28363748 | 10.1016/j.bmcl.2017.03.038 | Liver | 1 |
Data from ChEMBL 36 via Core Engine