Compound Detail
CHEMBL4746960
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Basic Information
| ChEMBL ID | CHEMBL4746960 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KETQDHYSNYBDHH-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
340.3
MW (Da)
3.19
ALogP
4
HBA
1
HBD
70.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 6.33 | 6.33 | 462.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | - | mL.min-1.kg-1 | Mus musculus |
| 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 | = | 462.0 | nM | 6.33 | Antagonist activity at recombinant human AR expressed in HEK293 cells assessed a... | 33095584 |
| Androgen receptor | IC50 | = | 464.0 | nM | 6.33 | Human Androgen Receptor (hAR) Ligand Binding Domain (LBD) Affinity Assay: Method... | - |
| Androgen receptor | IC50 | = | 464.0 | nM | 6.33 | Human Androgen Receptor (hAR) Ligand Binding Domain (LBD) Affinity Assay: Method... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33095584 | 10.1021/acs.jmedchem.0c00943 | Androgen receptor | 5 |
| 33095584 | 10.1021/acs.jmedchem.0c00943 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine