Compound Detail
CHEMBL5819730
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Basic Information
| ChEMBL ID | CHEMBL5819730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZEYAXYJUPCYIO-JTQLQIEISA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
284.1
MW (Da)
1.04
ALogP
4
HBA
2
HBD
86.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.34
IC50 2 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 6.46 | 6.46 | 350.0 | 2 |
| Androgen receptor CHEMBL1871 | Ki | 5.34 | 5.34 | 4547.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 350.0 | nM | 6.46 | Human Androgen Receptor (hAR) Ligand Binding Domain (LBD) Affinity Assay: Method... | - |
| Androgen receptor | IC50 | = | 350.0 | nM | 6.46 | Human Androgen Receptor (hAR) Ligand Binding Domain (LBD) Affinity Assay: Method... | - |
| Androgen receptor | Ki | = | 4547.0 | nM | 5.34 | Human Androgen Receptor (hAR) Ligand Binding Domain (LBD) Affinity Assay: Method... | - |
| Androgen receptor | Ki | = | 4547.0 | nM | 5.34 | Affinity Assay: hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagg... | - |
| Androgen receptor | Ki | = | 4547.0 | nM | 5.34 | Human Androgen Receptor (hAR) Ligand Binding Domain (LBD) Affinity Assay: Method... | - |
Data from ChEMBL 36 via Core Engine