Compound Detail
CHEMBL4461328
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C=C(c1ccccc1)[C@@]12CC[C@H](OS(N)(=O)=O)[C@@H]1CC(CCCCCC)=C2c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4461328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUITYPXKFZGOFR-NSVAZKTRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
465.7
MW (Da)
6.51
ALogP
3
HBA
1
HBD
69.4
PSA (Ų)
0.41
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 5 group A member 2 CHEMBL3544 | EC50 | 6.22 | 6.135 | 600.0 | 2 |
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 | = | 600.0 | nM | 6.22 | Agonist activity at recombinant human LRH1 ligand binding domain (300 to 537 res... | 31419141 |
| Nuclear receptor subfamily 5 group A member 2 | EC50 | = | 900.0 | nM | 6.05 | Agonist activity at human full length LRH1 transfected in human HeLa cells incub... | 31419141 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31419141 | 10.1021/acs.jmedchem.9b00753 | Nuclear receptor subfamily 5 group A member 2 | 9 |
| 31419141 | 10.1021/acs.jmedchem.9b00753 | Steroidogenic factor 1 | 1 |
Data from ChEMBL 36 via Core Engine