Compound Detail
CHEMBL5205059
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Basic Information
| ChEMBL ID | CHEMBL5205059 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZNKAJSQAZCFDF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
4.79
ALogP
6
HBA
1
HBD
76.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK-293T CHEMBL3706568 | IC50 | 6.11 | 6.11 | 780.0 | 1 |
| LNCaP C4-2 CHEMBL4296460 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK-293T | IC50 | = | 780.0 | nM | 6.11 | Antiproliferative activity against NTD-over expressed human HEK293T cells after ... | 35786895 |
| LNCaP C4-2 | IC50 | = | 1000.0 | nM | 6.0 | Antiproliferative activity against AR-independent human LNCaP C4-2 cells after 5... | 35786895 |
| Unchecked | IC50 | = | 1000.0 | nM | 6.0 | Antiproliferative activity against AR-independent human CWR22Rv cells after 5 da... | 35786895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36459083 | 10.1021/acs.jmedchem.2c01487 | Unchecked | 5 |
| 35786895 | 10.1021/acs.jmedchem.2c00716 | Androgen receptor | 2 |
| 35786895 | 10.1021/acs.jmedchem.2c00716 | Unchecked | 2 |
| 35786895 | 10.1021/acs.jmedchem.2c00716 | LNCaP | 1 |
| 35786895 | 10.1021/acs.jmedchem.2c00716 | HEK-293T | 1 |
| 35786895 | 10.1021/acs.jmedchem.2c00716 | LNCaP C4-2 | 1 |
Data from ChEMBL 36 via Core Engine