Compound Detail
CHEMBL3909403
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
CCc1nc(C(F)(F)F)cnc1N[C@H]1CCC[C@@H]1NC(=O)c1cc(F)ccc1-c1ncccn1
Basic Information
| ChEMBL ID | CHEMBL3909403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNMUBFFMEFDEDV-ROUUACIJSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
474.5
MW (Da)
4.42
ALogP
6
HBA
2
HBD
92.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | IC50 | 8.3 | 8.3 | 5.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 | IC50 | = | 5.0 | nM | 8.3 | Fluorescent Imaging Plate Reader (FLIPR) Assay: Orexin antagonist activity was d... | - |
| Orexin/Hypocretin receptor type 1 | IC50 | = | 5.0 | nM | 8.3 | FLIPR Assay: Orexin antagonist activity was determined by measuring changes in i... | - |
| Orexin/Hypocretin receptor type 1 | IC50 | = | 5.0 | nM | 8.3 | FLIPR Assay: Orexin antagonist activity was determined by measuring changes in i... | - |
Data from ChEMBL 36 via Core Engine