Compound Detail
CHEMBL4853429
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Basic Information
| ChEMBL ID | CHEMBL4853429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANWMMCFSCHWTDE-IBGZPJMESA-N |
2
Targets
4
Activities
2
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
433.4
MW (Da)
3.36
ALogP
6
HBA
2
HBD
103.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.5
Ki 1 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 6.5 | 6.5 | 317.0 | 3 |
| Androgen receptor CHEMBL3072 | Ki | 6.15 | 6.15 | 703.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 6.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 317.0 | nM | 6.5 | Antagonist activity at human androgen receptor expressed in HEK-293 cells harbor... | 34269581 |
| Androgen receptor | IC50 | = | 317.0 | nM | 6.5 | Human Androgen Receptor (hAR) Ligand Binding Domain (LBD) Affinity Assay: Method... | - |
| Androgen receptor | IC50 | = | 317.0 | nM | 6.5 | Human Androgen Receptor (hAR) Ligand Binding Domain (LBD) Affinity Assay: Method... | - |
| Androgen receptor | Ki | = | 703.0 | nM | 6.15 | Inhibition of [3H] MIB binding to rat prostate androgen receptor LBD by competit... | 34269581 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34269581 | 10.1021/acs.jmedchem.1c00439 | Androgen receptor | 3 |
| 34269581 | 10.1021/acs.jmedchem.1c00439 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine