Compound Detail
CHEMBL1800986
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Basic Information
| ChEMBL ID | CHEMBL1800986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSMCHXGGQCKXMY-MRXNPFEDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
4.15
ALogP
6
HBA
2
HBD
84.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 7.23 | 7.23 | 58.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 58.7 | nM | 7.23 | Displacement of GS-red from GRapha by fluorescence polarization assay | 21073190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21073190 | 10.1021/jm100957a | Glucocorticoid receptor | 4 |
Data from ChEMBL 36 via Core Engine