Compound Detail
CHEMBL359956
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Basic Information
| ChEMBL ID | CHEMBL359956 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFYYVKBYVMQKFG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
6
PK Parameters
2
Publications
0
Known Names
Molecular Properties
394.6
MW (Da)
4.78
ALogP
4
HBA
0
HBD
41.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 7.38 | 7.38 | 42.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1524.0 | ng.hr.mL-1 | - |
| CL | 35.0 | mL.min-1.kg-1 | - |
| Cmax | 633.62 | nM | - |
| F | 32.0 | % | Eutheria |
| Tmax | 4.0 | hr | - |
| Vd | 5.7 | L.kg-1 | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | Ki | = | 42.0 | nM | 7.38 | Displacement of [125I]-Tyr-o- CRF from human corticotropin releasing factor rece... | 15990298 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15990298 | 10.1016/j.bmcl.2005.05.117 | ADMET | 7 |
| 15990298 | 10.1016/j.bmcl.2005.05.117 | Corticotropin-releasing factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine