Compound Detail
CHEMBL457742
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COc1cc(-n2cccn2)ccc1N1CCc2c(-n3ccc(-n4cc[nH]c4=O)n3)cc(C)nc21
Basic Information
| ChEMBL ID | CHEMBL457742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFNPBWMAIAIAPU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
2.94
ALogP
9
HBA
1
HBD
98.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | IC50 | 6.44 | 6.44 | 363.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | IC50 | = | 363.08 | nM | 6.44 | Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed i... | 18989952 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18989952 | 10.1021/jm800744m | Corticotropin-releasing factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine