Compound Detail
CHEMBL5875463
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CCNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@@H](C(C)C)CC1
Basic Information
| ChEMBL ID | CHEMBL5875463 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVBNNVDWURLGGQ-MHORFTMASA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
403.6
MW (Da)
2.33
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin receptor type 2 CHEMBL4792 | EC50 | 8.72 | 8.69 | 1.9 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 2 | EC50 | = | 1.9 | nM | 8.72 | Measurement of Orexin Type 2 Receptor Agonist Activity: Chinese hamster ovary (C... | - |
| Orexin receptor type 2 | EC50 | = | 1.9 | nM | 8.72 | Measurement of Orexin Type 2 Receptor Agonist Activity: Chinese hamster ovary (C... | - |
| Orexin receptor type 2 | EC50 | = | 1.9 | nM | 8.72 | Measurement of Orexin Type 2 Receptor Agonist Activity: Chinese hamster ovary (C... | - |
| Orexin receptor type 2 | EC50 | = | 2.2 | nM | 8.66 | Measurement of Orexin Type 2 Receptor Agonist Activity: Chinese hamster ovary (C... | - |
| Orexin receptor type 2 | EC50 | = | 2.2 | nM | 8.66 | Measurement of Orexin Type 2 Receptor Agonist Activity: Chinese hamster ovary (C... | - |
| Orexin receptor type 2 | EC50 | = | 2.2 | nM | 8.66 | Measurement of Orexin Type 2 Receptor Agonist Activity: Chinese hamster ovary (C... | - |
Data from ChEMBL 36 via Core Engine