Compound Detail
CHEMBL5192915
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Basic Information
| ChEMBL ID | CHEMBL5192915 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCUHRUDZAOKECU-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
423.9
MW (Da)
4.73
ALogP
6
HBA
1
HBD
92.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 6.72 | 6.39 | 190.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 190.0 | nM | 6.72 | Antagonist activity at Androgen receptor T877A mutant (unknown origin) expressed... | 35786895 |
| Androgen receptor | IC50 | = | 340.0 | nM | 6.47 | Binding affinity to bicalutamide-resistant Androgen receptor T877A mutant (unkno... | 35786895 |
| Androgen receptor | IC50 | = | 430.0 | nM | 6.37 | Binding affinity to wild-type Androgen receptor (unknown origin) | 35786895 |
| Androgen receptor | IC50 | = | 1000.0 | nM | 6.0 | Antagonist activity at wild-type Androgen receptor (unknown origin) expressed in... | 35786895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35786895 | 10.1021/acs.jmedchem.2c00716 | Androgen receptor | 4 |
| 35786895 | 10.1021/acs.jmedchem.2c00716 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine