Compound Detail
CHEMBL2023244
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COc1ccc2ccccc2c1
Basic Information
| ChEMBL ID | CHEMBL2023244 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUOOTSFAUFNOLK-FWTLZLCQSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
606.7
MW (Da)
6.70
ALogP
6
HBA
2
HBD
84.6
PSA (Ų)
0.26
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 8.97 | 8.255 | 1.1 | 2 |
| Glucocorticoid receptor CHEMBL3368 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 1.06 | nM | 8.97 | Transrepression activity at glucocorticoid receptor in human H292 cells assessed... | 22465636 |
| Glucocorticoid receptor | IC50 | = | 29.2 | nM | 7.54 | Transactivation activity at glucocorticoid receptor in human HepG2 cells assesse... | 22465636 |
| Glucocorticoid receptor | IC50 | = | 58.0 | nM | 7.24 | Transactivation activity at glucocorticoid receptor in rat H4II-E cells assessed... | 22465636 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22465636 | 10.1016/j.bmcl.2012.03.015 | Glucocorticoid receptor | 6 |
Data from ChEMBL 36 via Core Engine