Compound Detail
CHEMBL3927299
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Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@@]2(O)C#CC(C)C
Basic Information
| ChEMBL ID | CHEMBL3927299 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFNGPPDCJVQJQX-GYBXLDJFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
4.86
ALogP
4
HBA
3
HBD
82.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 37.0 | nM | 7.43 | Antagonist activity at GR in human HepG2 cells assessed as inhibition of protein... | 27919657 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27919657 | 10.1016/j.bmcl.2016.11.007 | Glucocorticoid receptor | 7 |
Data from ChEMBL 36 via Core Engine