Compound Detail
CHEMBL497652
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Basic Information
| ChEMBL ID | CHEMBL497652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYZXTZFDEJNWEW-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
344.5
MW (Da)
4.65
ALogP
5
HBA
0
HBD
53.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.72
Ki 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 8.1 | 8.1 | 8.0 | 1 |
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | Ki | = | 8.0 | nM | 8.1 | Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cell... | 18672365 |
| Corticotropin-releasing factor receptor 1 | IC50 | = | 19.0 | nM | 7.72 | Antagonist activity at CRF1 receptor expressed in mouse AtT20 cells assessed as ... | 18672365 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18672365 | 10.1016/j.bmcl.2008.07.063 | Corticotropin-releasing factor receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine