Compound Detail
CHEMBL3085417
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 | CHEMBL3085417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOHUSGGCULMQCB-BOXHHOBZSA-N |
| Parent Compound | CHEMBL3139571 |
| Active Moiety | CHEMBL3139571 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
408.6
MW (Da)
5.26
ALogP
6
HBA
0
HBD
52.4
PSA (Ų)
0.46
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.62
Ki 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 7.66 | 7.66 | 22.0 | 1 |
| Corticotropin releasing factor receptor CHEMBL2111360 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | Ki | = | 22.0 | nM | 7.66 | Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing fa... | 15743196 |
| Corticotropin releasing factor receptor | IC50 | = | 240.0 | nM | 6.62 | Inhibition of corticotropin releasing factor stimulated cAMP production in rat p... | 15743196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15743196 | 10.1021/jm049339c | Corticotropin-releasing factor receptor 1 | 1 |
| 15743196 | 10.1021/jm049339c | Corticotropin releasing factor receptor | 1 |
Data from ChEMBL 36 via Core Engine