Compound Detail
CHEMBL1765961
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C=C(c1ccccc1)[C@@]12CC[C@@H](OC(C)=O)[C@@H]1CC(CCCCCC)=C2c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL1765961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMHADFPYWUQVQI-LXQNXJGFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
428.6
MW (Da)
7.86
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.30
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 5 group A member 2 CHEMBL3544 | EC50 | 6.4 | 6.4 | 398.1 | 1 |
| Steroidogenic factor 1 CHEMBL4666 | EC50 | 6.4 | 6.4 | 398.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steroidogenic factor 1 | EC50 | = | 398.11 | nM | 6.4 | Agonist activity at human SF-1 assessed as DAX1 1-23 peptide recruitment by TR-F... | 21391689 |
| Nuclear receptor subfamily 5 group A member 2 | EC50 | = | 398.11 | nM | 6.4 | Agonist activity at human LRH-1 receptor assessed as TIF2 737-757 peptide recrui... | 21391689 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21391689 | 10.1021/jm1014296 | Steroidogenic factor 1 | 2 |
| 21391689 | 10.1021/jm1014296 | Nuclear receptor subfamily 5 group A member 2 | 2 |
Data from ChEMBL 36 via Core Engine