Compound Detail
CHEMBL168823
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Basic Information
| ChEMBL ID | CHEMBL168823 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZXULRPAUWYMCMT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
458.4
MW (Da)
6.42
ALogP
5
HBA
0
HBD
46.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 8.21 | 8.21 | 6.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | Ki | = | 6.1 | nM | 8.21 | Binding affinity to recombinant human Corticotropin releasing factor receptor 1 ... | 10072681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10072681 | 10.1021/jm980224g | Corticotropin-releasing factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine