Compound Detail
CHEMBL436070
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CCC[C@@H]1O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2([S+](C)[O-])O1
Basic Information
| ChEMBL ID | CHEMBL436070 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICWSNAVBDKFNIV-HLLAAGIQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
452.6
MW (Da)
3.58
ALogP
5
HBA
1
HBD
78.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL3368 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 3.2 | nM | 8.49 | Steroid binding against the rat thymus glucocorticoid receptor | 8960547 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8960547 | 10.1021/jm9604639 | Rattus norvegicus | 3 |
| 8960547 | 10.1021/jm9604639 | Glucocorticoid receptor | 1 |
| 8960547 | 10.1021/jm9604639 | H35 | 1 |
Data from ChEMBL 36 via Core Engine