Compound Detail
CHEMBL6052043
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COc1ccccc1[C@H]1CC[C@@H](OC[C@H]2[C@@H](NS(C)(=O)=O)CCCN2C(=O)C2CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL6052043 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGFAYTQJGDVPLE-TZEULACYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
464.6
MW (Da)
3.06
ALogP
5
HBA
1
HBD
84.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin receptor type 2 CHEMBL4792 | EC50 | 8.57 | 8.57 | 2.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 2 | EC50 | = | 2.7 | nM | 8.57 | Measurement of Orexin Type 2 Receptor Agonist Activity: Chinese hamster ovary (C... | - |
| Orexin receptor type 2 | EC50 | = | 2.7 | nM | 8.57 | Measurement of Orexin Type 2 Receptor Agonist Activity: Chinese hamster ovary (C... | - |
| Orexin receptor type 2 | EC50 | = | 2.7 | nM | 8.57 | Measurement of Orexin Type 2 Receptor Agonist Activity: Chinese hamster ovary (C... | - |
Data from ChEMBL 36 via Core Engine