Compound Detail
CHEMBL4100278
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Basic Information
| ChEMBL ID | CHEMBL4100278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MICGJZAPBDCVHU-KWQFWETISA-N |
1
Targets
2
Activities
2
Assay Types
6
PK Parameters
3
Publications
0
Known Names
Molecular Properties
264.7
MW (Da)
2.01
ALogP
3
HBA
1
HBD
64.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.0
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Androgen receptor CHEMBL1871 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 7336.9 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 5.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 16.0 | mL.min-1.g-1 | Rattus norvegicus |
| Cmax | 4057.27 | nM | Rattus norvegicus |
| MRT | 4.06 | hr | Rattus norvegicus |
| Tmax | 3.33 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 11.0 | nM | 7.96 | Displacement of [3H]mibolerone from human AR after 3 hrs | 28454849 |
| Androgen receptor | EC50 | = | 1000.0 | nM | 6.0 | Agonist activity at human AR expressed in African green monkey COS7 cells after ... | 28454849 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28454849 | 10.1016/j.bmc.2017.04.018 | Rattus norvegicus | 4 |
| 28454849 | 10.1016/j.bmc.2017.04.018 | Androgen receptor | 2 |
| 28454849 | 10.1016/j.bmc.2017.04.018 | Liver | 2 |
Data from ChEMBL 36 via Core Engine