Compound Detail
CHEMBL2337515
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Basic Information
| ChEMBL ID | CHEMBL2337515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZRUBPUOTYXWMT-CWTRNNRKSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
370.8
MW (Da)
2.45
ALogP
5
HBA
2
HBD
89.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 7.01 | 5.95 | 97.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 97.0 | nM | 7.01 | Inhibition of Androgen receptor T877A mutant (unknown origin) expressed in Frees... | 23199477 |
| Androgen receptor | IC50 | = | 1600.0 | nM | 5.8 | Antagonist activity at Androgen receptor T877A mutant (unknown origin) expressed... | 23199477 |
| Androgen receptor | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyl... | 23199477 |
| Androgen receptor | IC50 | = | 6400.0 | nM | 5.19 | Antagonist activity at wild type Androgen receptor (unknown origin) expressed in... | 23199477 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23199477 | 10.1016/j.bmc.2012.11.001 | Androgen receptor | 6 |
Data from ChEMBL 36 via Core Engine