Compound Detail
CHEMBL427168
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Basic Information
| ChEMBL ID | CHEMBL427168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFFQAWDYQOJUFZ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
4
PK Parameters
3
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
6.09
ALogP
4
HBA
0
HBD
30.3
PSA (Ų)
0.50
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.32
Ki 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 8.22 | 8.22 | 6.0 | 1 |
| Corticotropin releasing factor receptor CHEMBL2111360 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 28.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 76.0 | % | Rattus norvegicus |
| T1/2 | 33.0 | hr | Rattus norvegicus |
| Vd | 80.0 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | Ki | = | 6.0 | nM | 8.22 | Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor... | 15943483 |
| Corticotropin releasing factor receptor | IC50 | = | 48.0 | nM | 7.32 | Inhibition of corticotropin releasing factor stimulated adrenocorticotropic horm... | 15943483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15943483 | 10.1021/jm050070m | ADMET | 4 |
| 15943483 | 10.1021/jm050070m | Corticotropin-releasing factor receptor 1 | 1 |
| 15943483 | 10.1021/jm050070m | Corticotropin releasing factor receptor | 1 |
Data from ChEMBL 36 via Core Engine