Compound Detail
CHEMBL295563
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Basic Information
| ChEMBL ID | CHEMBL295563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGIHMRSIPWHSFR-UHFFFAOYSA-N |
2
Targets
5
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
4.66
ALogP
6
HBA
0
HBD
51.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.47
Ki 2 meas. best 8.96
EC50 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 8.96 | 8.755 | 1.1 | 2 |
| Rattus norvegicus CHEMBL376 | IC50 | 7.47 | 7.22 | 34.0 | 2 |
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | EC50 | 6.85 | 6.85 | 142.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | Ki | = | 1.1 | nM | 8.96 | Binding affinity to the cloned human corticotropin releasing factor receptor 1 | 15203140 |
| Corticotropin-releasing factor receptor 1 | Ki | = | 2.8 | nM | 8.55 | Compound was tested for the binding affinity to human corticotropin releasing fa... | 10794681 |
| Rattus norvegicus | IC50 | = | 34.0 | nM | 7.47 | Inhibition of CRF-stimulated cAMP production in cultured rat anterior pituitary ... | 15203140 |
| Rattus norvegicus | IC50 | = | 106.0 | nM | 6.97 | Inhibition of CRF-stimulated ACTH release in cultured rat anterior pituitary cel... | 15203140 |
| Corticotropin-releasing factor receptor 1 | EC50 | = | 142.0 | nM | 6.85 | Antagonist potency in hCRF1 stimulated adenylate cyclase assay | 10794681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10794681 | 10.1021/jm990590f | Corticotropin-releasing factor receptor 1 | 2 |
| 15203140 | 10.1016/j.bmcl.2004.05.019 | Rattus norvegicus | 2 |
| 10794681 | 10.1021/jm990590f | Corticotropin-releasing factor receptor 2 | 1 |
| 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