Compound Detail
CHEMBL16972
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Basic Information
| ChEMBL ID | CHEMBL16972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRFXAWPJDSUMSI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
3.47
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 4.96 | 4.955 | 11100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 11100.0 | nM | 4.96 | Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 ce... | 23611768 |
| Androgen receptor | IC50 | = | 11220.18 | nM | 4.95 | Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 ce... | 23611768 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23611768 | 10.1016/j.bmc.2013.03.060 | Androgen receptor | 2 |
| 14980657 | 10.1016/j.bmcl.2003.12.087 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine