Compound Detail
CHEMBL3323483
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Basic Information
| ChEMBL ID | CHEMBL3323483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEFGZKYLWGZFFS-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
394.1
MW (Da)
2.69
ALogP
6
HBA
0
HBD
43.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 7.0 | 6.885 | 100.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 100.0 | nM | 7.0 | Inhibition of androgen receptor transcriptional activity in human LNCaP cells af... | 25062331 |
| Androgen receptor | IC50 | = | 100.0 | nM | 7.0 | Antagonist activity at Androgen receptor in human LNCaP cells assessed as inhibi... | 35786895 |
| Androgen receptor | IC50 | = | 170.0 | nM | 6.77 | Inhibition of androgen receptor in human LNCaP cells assessed as inhibition of p... | 25062331 |
| Androgen receptor | IC50 | = | 170.0 | nM | 6.77 | Antagonist activity at Androgen receptor in human LNCaP cells assessed as inhibi... | 35786895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25062331 | 10.1021/jm500802j | Androgen receptor | 7 |
| 35786895 | 10.1021/acs.jmedchem.2c00716 | Androgen receptor | 2 |
| 25062331 | 10.1021/jm500802j | Estrogen receptor | 1 |
| 25062331 | 10.1021/jm500802j | Glucocorticoid receptor | 1 |
| 25062331 | 10.1021/jm500802j | No relevant target | 1 |
| 25062331 | 10.1021/jm500802j | Progesterone receptor | 1 |
| 25062331 | 10.1021/jm500802j | ADMET | 1 |
| 25062331 | 10.1021/jm500802j | NON-PROTEIN TARGET | 1 |
| 25062331 | 10.1021/jm500802j | LNCaP | 1 |
| 35786895 | 10.1021/acs.jmedchem.2c00716 | LNCaP | 1 |
| 35786895 | 10.1021/acs.jmedchem.2c00716 | MR49F | 1 |
Data from ChEMBL 36 via Core Engine