Compound Detail
CHEMBL1765958
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C=C(c1ccccc1)[C@@]12CN(Cc3ccccc3)C[C@@H]1CC(CCCCCC)=C2c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL1765958 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFILKYCVXYKAKB-TWJUONSBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
461.7
MW (Da)
8.65
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.27
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 5 group A member 2 CHEMBL3544 | EC50 | 6.5 | 6.5 | 316.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor subfamily 5 group A member 2 | EC50 | = | 316.23 | nM | 6.5 | 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 |
| 21391689 | 10.1021/jm1014296 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine