Compound Detail
CHEMBL4159542
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Basic Information
| ChEMBL ID | CHEMBL4159542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBBUIPCOOWKOLP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
4.45
ALogP
5
HBA
2
HBD
77.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL3056 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 3400.0 | nM | 5.47 | Antagonist activity at AR in mouse SC3 cells assessed as inhibition of DHT-induc... | 30228001 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30228001 | 10.1016/j.bmc.2018.09.008 | Androgen receptor | 3 |
Data from ChEMBL 36 via Core Engine