Compound Detail
CHEMBL3622579
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Basic Information
| ChEMBL ID | CHEMBL3622579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJBBZWKKSCFNFZ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
2.10
ALogP
3
HBA
2
HBD
71.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 6.66 | 5.6667 | 220.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 220.0 | nM | 6.66 | Antagonist activity at wild type AR expressed in human SC cells assessed as inhi... | 26295173 |
| Androgen receptor | IC50 | = | 990.0 | nM | 6.0 | Antagonist activity at AR T877A mutant expressed in human LNCaP cells assessed a... | 26295173 |
| Androgen receptor | IC50 | = | 45200.0 | nM | 4.34 | Displacement of [3H]-DHT from human GST fused AR-LBD (627 to 919 amino acids) tr... | 26295173 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26295173 | 10.1016/j.ejmech.2015.08.002 | Androgen receptor | 5 |
| 26295173 | 10.1016/j.ejmech.2015.08.002 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine