Compound Detail
CHEMBL122960
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Basic Information
| ChEMBL ID | CHEMBL122960 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHFWICOHPLTYNY-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
451.4
MW (Da)
5.38
ALogP
5
HBA
0
HBD
56.5
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.68
Ki 1 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 8.07 | 8.07 | 8.6 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | Ki | = | 8.6 | nM | 8.07 | Binding affinity to the cloned human corticotropin releasing factor receptor 1 | 15203140 |
| Rattus norvegicus | IC50 | = | 210.0 | nM | 6.68 | Inhibition of CRF-stimulated cAMP production in cultured rat anterior pituitary ... | 15203140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15203140 | 10.1016/j.bmcl.2004.05.019 | Rattus norvegicus | 2 |
| 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