Compound Detail
CHEMBL5584170
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Basic Information
| ChEMBL ID | CHEMBL5584170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOFVCMFATFJQCO-QHCPKHFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
454.6
MW (Da)
5.73
ALogP
5
HBA
0
HBD
59.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| Orexin receptor type 2 CHEMBL4792 | IC50 | 8.32 | 8.32 | 4.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 | IC50 | = | 0.9 | nM | 9.05 | Antagonist activity at human OX1R expressed in CHO cells preincubated for 120 mi... | 38331429 |
| Orexin receptor type 2 | IC50 | = | 4.8 | nM | 8.32 | Antagonist activity at human OX2R expressed in CHO cells preincubated for 120 mi... | 38331429 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38331429 | 10.1021/acs.jmedchem.3c01894 | Orexin/Hypocretin receptor type 1 | 1 |
| 38331429 | 10.1021/acs.jmedchem.3c01894 | Orexin receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine