Compound Detail
CHEMBL5088323
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CCC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@@H](c2ccccc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5088323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOTZWGSJNUWUJV-WOZUAGRISA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
422.6
MW (Da)
3.05
ALogP
4
HBA
1
HBD
75.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin receptor type 2 CHEMBL4792 | EC50 | 8.64 | 8.47 | 2.3 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 2 | EC50 | = | 2.3 | nM | 8.64 | Measurement of Orexin Type 2 Receptor Agonist Activity: Chinese hamster ovary (C... | - |
| Orexin receptor type 2 | EC50 | = | 2.3 | nM | 8.64 | Measurement of Orexin Type 2 Receptor Agonist Activity: Chinese hamster ovary (C... | - |
| Orexin receptor type 2 | EC50 | = | 2.3 | nM | 8.64 | Measurement of Orexin Type 2 Receptor Agonist Activity: Chinese hamster ovary (C... | - |
| Orexin receptor type 2 | EC50 | = | 11.0 | nM | 7.96 | Agonist activity at human OX2R expressed in CHO-K1 cells by FLIPR calcium flux a... | 35295087 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35295087 | 10.1021/acsmedchemlett.1c00626 | Orexin receptor type 2 | 1 |
| 35295087 | 10.1021/acsmedchemlett.1c00626 | Orexin/Hypocretin receptor type 1 | 1 |
| 35295087 | 10.1021/acsmedchemlett.1c00626 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine