Compound Detail
CHEMBL1090477
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CC#C[C@@]1(O)CC[C@@]2(Cc3ccccc3)c3ccc(C(=O)NCc4ccncc4)cc3CC[C@@H]2C1
Basic Information
| ChEMBL ID | CHEMBL1090477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGLXEUNGCCJCDK-UPHHSBJESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
464.6
MW (Da)
4.99
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 2.0 | nM | 8.7 | Displacement of [3H]DEX from human glucocorticoid receptor | 20334371 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20334371 | 10.1021/jm901452y | Glucocorticoid receptor | 2 |
Data from ChEMBL 36 via Core Engine