Compound Detail
CHEMBL250803
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL250803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDSMSJWLEJGXKA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
2
Publications
0
Known Names
Molecular Properties
455.4
MW (Da)
7.44
ALogP
3
HBA
0
HBD
21.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | IC50 | 6.9 | 6.9 | 125.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 222.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 21.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 28.0 | % | Rattus norvegicus |
| T1/2 | 7.6 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | IC50 | = | 125.89 | nM | 6.9 | Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO ... | 17629700 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17629700 | 10.1016/j.bmcl.2007.06.077 | Rattus norvegicus | 5 |
| 17629700 | 10.1016/j.bmcl.2007.06.077 | Corticotropin-releasing factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine