Compound Detail
CHEMBL498311
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Basic Information
| ChEMBL ID | CHEMBL498311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHKJVUUMSPASRG-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
420.0
MW (Da)
4.86
ALogP
7
HBA
0
HBD
55.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 9.7 | 9.1333 | 0.2 | 3 |
| Corticotropin-releasing factor receptor 2 CHEMBL4069 | Ki | 4.77 | 4.77 | 16900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | Ki | = | 0.2 | nM | 9.7 | Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cell... | 18672365 |
| Corticotropin-releasing factor receptor 1 | Ki | = | 0.2 | nM | 9.7 | Antagonist activity at human CRF-1 receptor | 21618986 |
| Corticotropin-releasing factor receptor 1 | Ki | = | 9.98 | nM | 8.0 | Binding affinity to human recombinant CRF1 in HEK cell line assessed as inhibiti... | 34607244 |
| Corticotropin-releasing factor receptor 2 | Ki | = | 16900.0 | nM | 4.77 | Binding affinity to human recombinant CRF2 in HEK cell line assessed as inhibiti... | 34607244 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18672365 | 10.1016/j.bmcl.2008.07.063 | Corticotropin-releasing factor receptor 1 | 1 |
| 21618986 | 10.1021/jm200365y | Corticotropin-releasing factor receptor 1 | 1 |
| 34607244 | 10.1016/j.ejmech.2021.113867 | Corticotropin-releasing factor receptor 1 | 1 |
| 34607244 | 10.1016/j.ejmech.2021.113867 | Corticotropin-releasing factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine