Compound Detail
CHEMBL398531
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Basic Information
| ChEMBL ID | CHEMBL398531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZDYVVMDBOUYST-JTHBVZDNSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
5.16
ALogP
6
HBA
1
HBD
69.2
PSA (Ų)
0.50
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 7.96 | 7.96 | 11.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | Ki | = | 11.0 | nM | 7.96 | Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells | 17888659 |
| Corticotropin-releasing factor receptor 1 | Ki | = | 11.0 | nM | 7.96 | Antagonist activity at human CRF-1 receptor | 21618986 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17888659 | 10.1016/j.bmcl.2007.09.008 | Corticotropin-releasing factor receptor 1 | 1 |
| 21618986 | 10.1021/jm200365y | Corticotropin-releasing factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine