Compound Detail
CHEMBL3764446
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Basic Information
| ChEMBL ID | CHEMBL3764446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNHUIUFMXNZBIZ-DGCLKSJQSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
266.7
MW (Da)
2.08
ALogP
4
HBA
2
HBD
65.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.28
EC50 1 meas. best 7.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 8.28 | 8.28 | 5.2 | 1 |
| Androgen receptor CHEMBL1871 | EC50 | 7.13 | 7.13 | 73.7 | 1 |
| Progesterone receptor CHEMBL208 | Ki | 5.91 | 5.91 | 1220.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | Ki | 5.62 | 5.62 | 2390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 5.21 | nM | 8.28 | Displacement of [3H]-methyltrienolone from androgen receptor (unknown origin) ex... | 26683992 |
| Androgen receptor | EC50 | = | 73.7 | nM | 7.13 | Agonist activity at human androgen receptor expressed in mouse C2C12 cells cotra... | 26683992 |
| Progesterone receptor | Ki | = | 1220.0 | nM | 5.91 | Displacement of [3H]-methyltrienolone from progesterone receptor (unknown origin... | 26683992 |
| Glucocorticoid receptor | Ki | = | 2390.0 | nM | 5.62 | Displacement of [3H]-dexamethasone from glucocorticoid receptor (unknown origin)... | 26683992 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26683992 | 10.1021/acs.jmedchem.5b01168 | Androgen receptor | 2 |
| 26683992 | 10.1021/acs.jmedchem.5b01168 | Progesterone receptor | 1 |
| 26683992 | 10.1021/acs.jmedchem.5b01168 | Mineralocorticoid receptor | 1 |
| 26683992 | 10.1021/acs.jmedchem.5b01168 | Glucocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine