Compound Detail
CHEMBL4872533
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Basic Information
| ChEMBL ID | CHEMBL4872533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNDHIGUWSXZCOO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
381.4
MW (Da)
4.69
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| t1/2 | - | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 70.0 | nM | 7.16 | Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARR... | 34661404 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34661404 | 10.1021/acs.jmedchem.1c00681 | Androgen receptor | 1 |
| 34661404 | 10.1021/acs.jmedchem.1c00681 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine