Compound Detail
CHEMBL395717
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Basic Information
| ChEMBL ID | CHEMBL395717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZIJLTBYAYIURJ-JAIQZWGSSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
442.5
MW (Da)
6.50
ALogP
6
HBA
2
HBD
74.5
PSA (Ų)
0.47
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.1
EC50 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | EC50 | 9.7 | 9.7 | 0.2 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| RPMI-8226 CHEMBL614882 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | EC50 | = | 0.2 | nM | 9.7 | Agonist activity at human GR expressed in CV1 cells by GRE activation assay | 17705362 |
| Glucocorticoid receptor | IC50 | = | 0.8 | nM | 9.1 | Activity at human GR expressed in NHDFneo cells assessed as inhibition of IL-6 p... | 17705362 |
| RPMI-8226 | IC50 | = | 14.0 | nM | 7.85 | Antiproliferative activity against human RPMI8226 cells after 4 days | 17705362 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17705362 | 10.1021/jm070370z | Glucocorticoid receptor | 4 |
| 17705362 | 10.1021/jm070370z | RPMI-8226 | 2 |
Data from ChEMBL 36 via Core Engine