Compound Detail
CHEMBL4467442
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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL4467442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNWINRVXAYPOMW-WJUYXORRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1047.1
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 5 group A member 2 CHEMBL3544 | Ki | 7.19 | 7.19 | 64.3 | 1 |
| Steroidogenic factor 1 CHEMBL4666 | Ki | 6.38 | 6.38 | 418.0 | 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 | Ki | = | 64.3 | nM | 7.19 | Displacement of 6N-FAM from human LRH1 LBD (299 to 541 residues) expressed in Es... | 32184971 |
| Steroidogenic factor 1 | Ki | = | 418.0 | nM | 6.38 | Displacement of 6N-FAM from SF1 LBD (218 to 461 residues) (unknown origin) expre... | 32184971 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32184971 | 10.1021/acsmedchemlett.9b00442 | Steroidogenic factor 1 | 2 |
| 32184971 | 10.1021/acsmedchemlett.9b00442 | Nuclear receptor subfamily 5 group A member 2 | 1 |
Data from ChEMBL 36 via Core Engine