Compound Detail
CHEMBL5762072
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Basic Information
| ChEMBL ID | CHEMBL5762072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRLYEEMXKRJRAL-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
472.4
MW (Da)
4.20
ALogP
6
HBA
1
HBD
83.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 CHEMBL1075232 | Ki | 7.8 | 7.525 | 16.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 7.68 | 6.84 | 21.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 | Ki | = | 16.0 | nM | 7.8 | Receptor Radioligand Binding Assay: Human Embryonic Kidney 293 cells (HEK293) st... | - |
| Unchecked | Ki | = | 21.0 | nM | 7.68 | Receptor Radioligand Binding Assay: HEK293 stably expressing human orexin 2 rece... | - |
| Orexin/Hypocretin receptor type 1 | Ki | = | 56.0 | nM | 7.25 | Receptor Radioligand Binding Assay: Human Embryonic Kidney 293 cells (HEK293) st... | - |
| Unchecked | Ki | = | 59.0 | nM | 7.23 | Receptor Radioligand Binding Assay: HEK293 stably expressing human orexin 2 rece... | - |
| Unchecked | Ki | = | 567.0 | nM | 6.25 | Receptor Radioligand Binding Assay: Human Embryonic Kidney 293 cells (HEK293) st... | - |
| Unchecked | Ki | = | 637.0 | nM | 6.2 | Receptor Radioligand Binding Assay: Human Embryonic Kidney 293 cells (HEK293) st... | - |
Data from ChEMBL 36 via Core Engine