Compound Detail
CHEMBL6038815
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O=C(N[C@@H]1CC(F)(F)C[C@@H]1Nc1nc2ccc(Cl)cc2s1)c1ccccc1-n1nccn1
Basic Information
| ChEMBL ID | CHEMBL6038815 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYPMYKYIDBARGL-CVEARBPZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
474.9
MW (Da)
4.54
ALogP
7
HBA
2
HBD
84.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin receptor type 2 CHEMBL4792 | IC50 | 6.36 | 6.36 | 441.0 | 1 |
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | IC50 | 6.25 | 6.25 | 564.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 2 | IC50 | = | 441.0 | nM | 6.36 | Fluorescent Imaging Plate Reader (FLIPR) Assay: Orexin antagonist activity was d... | - |
| Orexin/Hypocretin receptor type 1 | IC50 | = | 564.0 | nM | 6.25 | Fluorescent Imaging Plate Reader (FLIPR) Assay: Orexin antagonist activity was d... | - |
Data from ChEMBL 36 via Core Engine