Compound Detail
CHEMBL5394185
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Basic Information
| ChEMBL ID | CHEMBL5394185 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJPCAMVWJRJSTF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
494.6
MW (Da)
4.58
ALogP
5
HBA
1
HBD
84.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | EC50 | 5.83 | 5.83 | 1496.0 | 1 |
| Orexin receptor type 2 CHEMBL4792 | EC50 | 5.07 | 5.07 | 8551.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 | EC50 | = | 1496.0 | nM | 5.83 | Agonist activity at human OX1R expressed in CHO-K1 cells assessed as increase in... | 37043436 |
| Orexin receptor type 2 | EC50 | = | 8551.0 | nM | 5.07 | Agonist activity at human OX2R expressed in CHO-K1 cells assessed as increase in... | 37043436 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37043436 | 10.1021/acs.jmedchem.2c01773 | Orexin/Hypocretin receptor type 1 | 2 |
| 37043436 | 10.1021/acs.jmedchem.2c01773 | Orexin receptor type 2 | 2 |
| 37043436 | 10.1021/acs.jmedchem.2c01773 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine