Compound Detail
CHEMBL3402221
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Basic Information
| ChEMBL ID | CHEMBL3402221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBYBRFWSHPZPLM-LBPRGKRZSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
236.3
MW (Da)
3.70
ALogP
2
HBA
0
HBD
27.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.72
IC50 1 meas. best 9.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | EC50 | 9.72 | 9.72 | 0.2 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 9.08 | 9.08 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | EC50 | = | 0.19 | nM | 9.72 | Modulation of androgen receptor (unknown origin) expressed in Cos7 cells assesse... | 25862209 |
| Androgen receptor | IC50 | = | 0.84 | nM | 9.08 | Displacement of [3H]mibolerone from androgen receptor (unknown origin) after 3 h... | 25862209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25862209 | 10.1016/j.bmc.2015.03.032 | Androgen receptor | 2 |
Data from ChEMBL 36 via Core Engine