Compound Detail
CHEMBL5958033
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COC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@@H](c2ccccc2Cl)CC1
Basic Information
| ChEMBL ID | CHEMBL5958033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBWOQHATGRUOTG-JSJNYSNDSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
459.0
MW (Da)
3.53
ALogP
5
HBA
1
HBD
84.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin receptor type 2 CHEMBL4792 | EC50 | 8.21 | 8.21 | 6.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 2 | EC50 | = | 6.1 | nM | 8.21 | Measurement of Orexin Type 2 Receptor Agonist Activity: Chinese hamster ovary (C... | - |
| Orexin receptor type 2 | EC50 | = | 6.1 | nM | 8.21 | Measurement of Orexin Type 2 Receptor Agonist Activity: Chinese hamster ovary (C... | - |
| Orexin receptor type 2 | EC50 | = | 6.1 | nM | 8.21 | Measurement of Orexin Type 2 Receptor Agonist Activity: Chinese hamster ovary (C... | - |
Data from ChEMBL 36 via Core Engine