Compound Detail
CHEMBL4876629
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Basic Information
| ChEMBL ID | CHEMBL4876629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRUBZCCIHHRFTL-INIZCTEOSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
362.3
MW (Da)
2.64
ALogP
5
HBA
2
HBD
101.8
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 6.48 | 6.48 | 328.0 | 3 |
| Androgen receptor CHEMBL3072 | Ki | 6.48 | 6.48 | 328.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 328.0 | nM | 6.48 | Inhibition of [3H] MIB binding to rat prostate androgen receptor LBD by competit... | 34269581 |
| Androgen receptor | Ki | = | 328.0 | nM | 6.48 | Human Androgen Receptor (hAR) Ligand Binding Domain (LBD) Affinity Assay: Method... | - |
| Androgen receptor | Ki | = | 328.0 | nM | 6.48 | Affinity Assay: hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagg... | - |
| Androgen receptor | Ki | = | 328.0 | nM | 6.48 | Human Androgen Receptor (hAR) Ligand Binding Domain (LBD) Affinity Assay: Method... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34269581 | 10.1021/acs.jmedchem.1c00439 | Androgen receptor | 4 |
Data from ChEMBL 36 via Core Engine