Compound Detail
CHEMBL2441092
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Basic Information
| ChEMBL ID | CHEMBL2441092 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGWSHFPCZCSZNN-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
5.06
ALogP
4
HBA
2
HBD
67.8
PSA (Ų)
0.66
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 5.89 | 5.5933 | 1300.0 | 3 |
| Androgen receptor CHEMBL3056 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 1300.0 | nM | 5.89 | Antagonist activity at androgen receptor H874Y mutant (unknown origin) expressed... | 24900588 |
| Androgen receptor | IC50 | = | 2400.0 | nM | 5.62 | Antagonist activity at androgen receptor T877A mutant (unknown origin) expressed... | 24900588 |
| Androgen receptor | IC50 | = | 2900.0 | nM | 5.54 | Antagonist activity at androgen receptor in mouse SC3 cells assessed as inhibiti... | 24900588 |
| Androgen receptor | IC50 | = | 5400.0 | nM | 5.27 | Displacement of [3H]-DHT from human GST-tagged androgen receptor LBD (627 to 919... | 24900588 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900588 | 10.1021/ml4001744 | Androgen receptor | 5 |
| 24900588 | 10.1021/ml4001744 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine