Compound Detail
CHEMBL257204
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
CC(C)NC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2
Basic Information
| ChEMBL ID | CHEMBL257204 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTJIGZFENPOXHR-PMERELPUSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
536.7
MW (Da)
5.33
ALogP
5
HBA
1
HBD
67.2
PSA (Ų)
0.46
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 8.68 | 8.225 | 2.1 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 5.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 2.1 | nM | 8.68 | Displacement of [3H]dexamethasone from human recombinant GR | 18226897 |
| Glucocorticoid receptor | Ki | = | 17.0 | nM | 7.77 | Antagonist activity at GR in SW1353/MMTV5 cells assessed as inhibition of dexame... | 18226897 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18226897 | 10.1016/j.bmcl.2008.01.027 | Glucocorticoid receptor | 2 |
| 18226897 | 10.1016/j.bmcl.2008.01.027 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine