Compound Detail
CHEMBL1908322
TIPREDANE 🧪 Phase II
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🧪 Phase II
CCS[C@]1(SC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
Basic Information
| ChEMBL ID | CHEMBL1908322 |
| Name | TIPREDANE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | DXEXNWDGDYUITL-FXSSSKFRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
4
Known Names
Molecular Properties
410.6
MW (Da)
5.17
ALogP
4
HBA
1
HBD
37.3
PSA (Ų)
0.65
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 1 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL3368 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 2.3 | nM | 8.64 | 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 |
| 22961681 | 10.1124/dmd.112.047068 | Bile salt export pump | 1 |
Data from ChEMBL 36 via Core Engine