Compound Detail
CHEMBL391548
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Basic Information
| ChEMBL ID | CHEMBL391548 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSOANLOTNWGJSK-UHFFFAOYSA-N |
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
263.2
MW (Da)
3.95
ALogP
2
HBA
1
HBD
44.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 10.7 | 8.8833 | 0.0 | 6 |
| Progesterone receptor CHEMBL208 | IC50 | 5.35 | 5.35 | 4450.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 0.02 | nM | 10.7 | Antagonist activity at human AR in MDA-MB453-MMTV-luci cells by functional assay | 17764935 |
| Androgen receptor | IC50 | = | 0.02 | nM | 10.7 | Antagonist activity against human androgen receptor expressed in human MDA-MB-45... | 18921992 |
| Androgen receptor | IC50 | = | 0.2 | nM | 9.7 | Antagonist activity at Androgen receptor in human MDA-kb2 cells | 35786895 |
| Androgen receptor | IC50 | = | 39.9 | nM | 7.4 | Displacement of [3H]DHT from human recombinant AR expressed in Sf9 cells | 17764935 |
| Androgen receptor | IC50 | = | 39.9 | nM | 7.4 | Displacement of [3H]dihydrotestosterone from human androgen receptor expressed i... | 18921992 |
| Androgen receptor | IC50 | = | 39.9 | nM | 7.4 | Binding affinity to human Androgen receptor | 35786895 |
| Progesterone receptor | IC50 | = | 4450.0 | nM | 5.35 | Binding affinity at human PR | 17764935 |
| Progesterone receptor | IC50 | = | 4450.0 | nM | 5.35 | Inhibition of progesterone receptor | 18921992 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17764935 | 10.1016/j.bmcl.2007.08.034 | Androgen receptor | 2 |
| 18921992 | 10.1021/jm8009316 | Androgen receptor | 2 |
| 35786895 | 10.1021/acs.jmedchem.2c00716 | Androgen receptor | 2 |
| 17764935 | 10.1016/j.bmcl.2007.08.034 | Syrian golden hamster | 1 |
| 17764935 | 10.1016/j.bmcl.2007.08.034 | Progesterone receptor | 1 |
| 18921992 | 10.1021/jm8009316 | Progesterone receptor | 1 |
| 18921992 | 10.1021/jm8009316 | Syrian golden hamster | 1 |
| 19963379 | 10.1016/j.bmcl.2009.11.039 | Skin | 1 |
| 19963379 | 10.1016/j.bmcl.2009.11.039 | No relevant target | 1 |
| 35786895 | 10.1021/acs.jmedchem.2c00716 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine