Compound Detail
CHEMBL3085416
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Basic Information
| ChEMBL ID | CHEMBL3085416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZLRSSGTAFCJKJ-BDQAORGHSA-N |
| Parent Compound | CHEMBL3139409 |
| Active Moiety | CHEMBL3139409 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
413.0
MW (Da)
5.90
ALogP
5
HBA
0
HBD
43.2
PSA (Ų)
0.44
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.04
Ki 1 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 8.2 | 8.2 | 6.3 | 1 |
| Corticotropin releasing factor receptor CHEMBL2111360 | IC50 | 7.04 | 7.04 | 91.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | Ki | = | 6.3 | nM | 8.2 | Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing fa... | 15743196 |
| Corticotropin releasing factor receptor | IC50 | = | 91.0 | nM | 7.04 | 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