Compound Detail
CHEMBL3402228
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Basic Information
| ChEMBL ID | CHEMBL3402228 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWQKZNNGOSPTCG-ZBEGNZNMSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
2.67
ALogP
3
HBA
1
HBD
47.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.6
IC50 2 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | EC50 | 9.6 | 9.545 | 0.2 | 2 |
| Androgen receptor CHEMBL1871 | IC50 | 8.66 | 8.64 | 2.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | EC50 | = | 0.25 | nM | 9.6 | Modulation of androgen receptor (unknown origin) expressed in Cos7 cells assesse... | 25862209 |
| Androgen receptor | EC50 | = | 0.32 | nM | 9.49 | Agonist activity to human Androgen receptor in African green monkey COS-7 cells ... | 35786895 |
| Androgen receptor | IC50 | = | 2.2 | nM | 8.66 | Displacement of [3H]mibolerone from androgen receptor (unknown origin) after 3 h... | 25862209 |
| Androgen receptor | IC50 | = | 2.4 | nM | 8.62 | Binding affinity to human Androgen receptor | 35786895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25862209 | 10.1016/j.bmc.2015.03.032 | Rattus norvegicus | 9 |
| 25862209 | 10.1016/j.bmc.2015.03.032 | Androgen receptor | 2 |
| 35786895 | 10.1021/acs.jmedchem.2c00716 | Androgen receptor | 2 |
Data from ChEMBL 36 via Core Engine