Compound Detail
CHEMBL2022657
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(-c4ccccc4)c3C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CSc1ccccn1
Basic Information
| ChEMBL ID | CHEMBL2022657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOOIASWJYDMUEY-YBWODQSBSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
555.7
MW (Da)
5.51
ALogP
7
HBA
2
HBD
88.2
PSA (Ų)
0.40
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 8.82 | 7.7067 | 1.5 | 3 |
| Glucocorticoid receptor CHEMBL3368 | IC50 | 6.65 | 6.65 | 225.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 1.5 | nM | 8.82 | Transrepression activity at glucocorticoid receptor in human H292 cells assessed... | 22465636 |
| Glucocorticoid receptor | IC50 | = | 8.4 | nM | 8.08 | Transactivation activity at human glucocorticoid receptor in cells co-expressing... | 22465636 |
| Glucocorticoid receptor | IC50 | = | 225.0 | nM | 6.65 | Transactivation activity at glucocorticoid receptor in rat H4II-E cells assessed... | 22465636 |
| Glucocorticoid receptor | IC50 | = | 596.0 | nM | 6.22 | Transactivation activity at glucocorticoid receptor in human HepG2 cells assesse... | 22465636 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22465636 | 10.1016/j.bmcl.2012.03.015 | Glucocorticoid receptor | 8 |
Data from ChEMBL 36 via Core Engine