Compound Detail
CHEMBL46798
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Basic Information
| ChEMBL ID | CHEMBL46798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCBKMFQKFWBGMQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
414.4
MW (Da)
5.06
ALogP
4
HBA
0
HBD
30.3
PSA (Ų)
0.60
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin releasing factor receptor CHEMBL2111360 | Ki | 7.55 | 7.55 | 28.0 | 1 |
| Corticotropin-releasing factor receptor 1 CHEMBL4649 | Ki | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | Ki | = | 28.0 | nM | 7.55 | Binding affinity was determined against corticotropin releasing factor receptor ... | 10072680 |
| Corticotropin releasing factor receptor | Ki | = | 28.0 | nM | 7.55 | Compound was tested for the binding affinity to rat Corticotropin releasing fact... | 10794681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10072680 | 10.1021/jm980223o | Corticotropin-releasing factor receptor 1 | 1 |
| 10794681 | 10.1021/jm990590f | Corticotropin releasing factor receptor | 1 |
Data from ChEMBL 36 via Core Engine