Compound Detail
CHEMBL188907
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Basic Information
| ChEMBL ID | CHEMBL188907 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKLMUGFDGONMAA-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
417.4
MW (Da)
6.50
ALogP
4
HBA
0
HBD
34.0
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 8.4 | 8.35 | 4.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | Ki | = | 4.0 | nM | 8.4 | Antagonist activity at human CRF-1 receptor | 21618986 |
| Corticotropin-releasing factor receptor 1 | Ki | = | 4.5 | nM | 8.35 | Binding affinity for corticotropin-releasing factor-1 expressed in leukocyte tyr... | 16078829 |
| Corticotropin-releasing factor receptor 1 | Ki | = | 5.012 | nM | 8.3 | Binding affinity for human corticotropin releasing factor receptor 1 expressed i... | 16134945 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16078829 | 10.1021/jm050384+ | Corticotropin-releasing factor receptor 1 | 1 |
| 16134945 | 10.1021/jm049085v | Corticotropin-releasing factor receptor 1 | 1 |
| 21618986 | 10.1021/jm200365y | Corticotropin-releasing factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine