Compound Detail
CHEMBL5742880
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Basic Information
| ChEMBL ID | CHEMBL5742880 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWFVOORHDDCKKL-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
3.98
ALogP
6
HBA
1
HBD
83.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | Ki | 8.05 | 8.05 | 9.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 8.05 | 8.05 | 9.0 | 1 |
| Orexin/Hypocretin receptor type 1 CHEMBL1075232 | Ki | 7.89 | 7.89 | 13.0 | 2 |
| Orexin receptor type 2 CHEMBL4792 | Ki | 7.06 | 7.06 | 88.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 9.0 | nM | 8.05 | Radioligand Binding Assay: HEK293 stably expressing human orexin 2 receptor (Gen... | - |
| Orexin/Hypocretin receptor type 1 | Ki | = | 9.0 | nM | 8.05 | Human Orexin 1 Receptor Ca2+ Mobilization Assay: CHO cells stably transfected wi... | - |
| Orexin/Hypocretin receptor type 1 | Ki | = | 13.0 | nM | 7.89 | Radioligand Binding Assay: Human Embryonic Kidney 293 cells (HEK293) stably expr... | - |
| Orexin/Hypocretin receptor type 1 | Ki | = | 13.0 | nM | 7.89 | Rat and Human Orexin 1 Receptor Radioligand Binding Studies: Human Embryonic Kid... | - |
| Orexin receptor type 2 | Ki | = | 88.0 | nM | 7.06 | Radioligand Binding Assay: HEK293 stably expressing human orexin 2 receptor (Gen... | - |
| Orexin receptor type 2 | Ki | = | 88.0 | nM | 7.06 | Human Orexin 2 Receptor Ca2+ Mobilization Assay: PFSK-1 cells endogenously expre... | - |
Data from ChEMBL 36 via Core Engine