Compound Detail
CHEMBL1085593
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Basic Information
| ChEMBL ID | CHEMBL1085593 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGVUYXVVBNOJLA-SFHVURJKSA-N |
2
Targets
5
Activities
1
Assay Types
4
PK Parameters
16
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
4.39
ALogP
3
HBA
0
HBD
53.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 7.42 | 7.21 | 38.0 | 4 |
| Progesterone receptor CHEMBL208 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 121.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 57.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 16.0 | mL.min-1.kg-1 | Homo sapiens |
| T1/2 | 7.0 | hr | Mesocricetus auratus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 38.0 | nM | 7.42 | Antagonist activity at androgen receptor in human MDA-MB-453 cells coexpressing ... | 20462217 |
| Androgen receptor | IC50 | = | 38.0 | nM | 7.42 | Antagonist activity at Androgen receptor in human MDA-kb2 cells | 35786895 |
| Androgen receptor | IC50 | = | 100.0 | nM | 7.0 | Displacement of [3H]DHT from human AR expressed in baculovirus Sf9 cells system ... | 20462217 |
| Androgen receptor | IC50 | = | 100.0 | nM | 7.0 | Binding affinity to human Androgen receptor | 35786895 |
| Progesterone receptor | IC50 | = | 4400.0 | nM | 5.36 | Binding affinity to progesterone receptor by PRB assay | 20462217 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20462217 | 10.1021/jm9018004 | Syrian golden hamster | 5 |
| 20462217 | 10.1021/jm9018004 | Unchecked | 5 |
| 20462217 | 10.1021/jm9018004 | ADMET | 4 |
| 20462217 | 10.1021/jm9018004 | Rattus norvegicus | 3 |
| 20462217 | 10.1021/jm9018004 | No relevant target | 2 |
| 20462217 | 10.1021/jm9018004 | Androgen receptor | 2 |
| 20462217 | 10.1021/jm9018004 | Mus musculus | 2 |
| 20462217 | 10.1021/jm9018004 | Sus scrofa | 2 |
| 35786895 | 10.1021/acs.jmedchem.2c00716 | Androgen receptor | 2 |
| 20462217 | 10.1021/jm9018004 | Glucocorticoid receptor | 1 |
| 20462217 | 10.1021/jm9018004 | Estrogen receptor | 1 |
| 20462217 | 10.1021/jm9018004 | Progesterone receptor | 1 |
| 20462217 | 10.1021/jm9018004 | Skin | 1 |
| 20462217 | 10.1021/jm9018004 | Liver microsomes | 1 |
| 20462217 | 10.1021/jm9018004 | Homo sapiens | 1 |
| 35786895 | 10.1021/acs.jmedchem.2c00716 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine