Compound Detail
CHEMBL5833599
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CCC(=O)O[C@]1(C(=O)SCCCCCCCCCCP(=O)(O)O)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
Basic Information
| ChEMBL ID | CHEMBL5833599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALJARNPEIWWIOU-HJXJDVPYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
688.8
MW (Da)
6.80
ALogP
7
HBA
3
HBD
138.2
PSA (Ų)
0.10
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 9.36 | 9.36 | 0.4 | 1 |
| Unchecked CHEMBL612545 | IC50 | 9.36 | 9.36 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.44 | nM | 9.36 | GILZ gene assays: HUT78 cells were cultured in IMEM plus 20% heat inactivated FB... | - |
| Glucocorticoid receptor | IC50 | = | 0.44 | nM | 9.36 | Glucocorticoid Receptor Competitor Assay: The potency of binding to gucocorticoi... | - |
Data from ChEMBL 36 via Core Engine