Compound Detail
CHEMBL5746852
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Basic Information
| ChEMBL ID | CHEMBL5746852 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFVWJLPQSRGMQT-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
388.5
MW (Da)
5.08
ALogP
3
HBA
1
HBD
51.2
PSA (Ų)
0.64
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | IC50 | 7.04 | 6.945 | 92.0 | 2 |
| Orexin receptor type 2 CHEMBL4792 | IC50 | 5.72 | 5.6 | 1900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 | IC50 | = | 92.0 | nM | 7.04 | Fluorescent Imaging Plate Reader (FLIPR) Assay: Orexin antagonist activity was d... | - |
| Orexin/Hypocretin receptor type 1 | IC50 | = | 140.0 | nM | 6.85 | Fluorescent Imaging Plate Reader (FLIPR) Assay: Orexin antagonist activity was d... | - |
| Orexin receptor type 2 | IC50 | = | 1900.0 | nM | 5.72 | Fluorescent Imaging Plate Reader (FLIPR) Assay: Orexin antagonist activity was d... | - |
| Orexin receptor type 2 | IC50 | = | 3300.0 | nM | 5.48 | Fluorescent Imaging Plate Reader (FLIPR) Assay: Orexin antagonist activity was d... | - |
Data from ChEMBL 36 via Core Engine