Compound Detail
CHEMBL5195414
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C[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2COC3CCC(CC3)c3ccccc3/C=C/OC(=O)N12
Basic Information
| ChEMBL ID | CHEMBL5195414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STIPETWZTMTJFW-WZOSIZDNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
463.6
MW (Da)
3.08
ALogP
5
HBA
1
HBD
88.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin receptor type 2 CHEMBL4792 | IC50 | 10.05 | 10.05 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 2 | IC50 | = | 0.09 | nM | 10.05 | Agonist activity at human OX2R expressed in CHO cells incubated for 2 hrs by IP-... | 36105324 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36105324 | 10.1021/acsmedchemlett.2c00341 | Orexin receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine