Compound Detail
CHEMBL2093959
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
CCCN(c1nc(-c2ccc(Cl)cc2OC)n(C)n1)[C@H](CC)c1ccc(C(F)(F)F)cc1.Cl
Basic Information
| ChEMBL ID | CHEMBL2093959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KARLXSIODPDOHC-FSRHSHDFSA-N |
| Parent Compound | CHEMBL2110007 |
| Active Moiety | CHEMBL2110007 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
466.9
MW (Da)
6.53
ALogP
5
HBA
0
HBD
43.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 6.37 | 6.37 | 428.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | Ki | = | 428.0 | nM | 6.37 | Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing fa... | 15743196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15743196 | 10.1021/jm049339c | Corticotropin-releasing factor receptor 1 | 1 |
| 15743196 | 10.1021/jm049339c | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine