Compound Detail
CHEMBL331539
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Basic Information
| ChEMBL ID | CHEMBL331539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AAXYOUKKRCNYBM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
347.5
MW (Da)
4.51
ALogP
5
HBA
0
HBD
57.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 8.46 | 8.46 | 3.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | Ki | = | 3.5 | nM | 8.46 | Binding affinity to the cloned human corticotropin releasing factor receptor 1 | 15203140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15203140 | 10.1016/j.bmcl.2004.05.019 | Corticotropin-releasing factor receptor 1 | 1 |
| 15203140 | 10.1016/j.bmcl.2004.05.019 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine