Compound Detail
CHEMBL5804397
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Basic Information
| ChEMBL ID | CHEMBL5804397 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBOYUJJQCAMZDT-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
443.4
MW (Da)
3.10
ALogP
7
HBA
1
HBD
88.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Orexin/Hypocretin receptor type 1 CHEMBL1075232 | Ki | 8.22 | 8.22 | 6.0 | 2 |
| Orexin receptor type 2 CHEMBL4792 | Ki | 7.22 | 7.22 | 60.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 4.0 | nM | 8.4 | Radioligand Binding Assay: HEK293 stably expressing human orexin 2 receptor (Gen... | - |
| Orexin/Hypocretin receptor type 1 | Ki | = | 4.0 | nM | 8.4 | Human Orexin 1 Receptor Ca2+ Mobilization Assay: CHO cells stably transfected wi... | - |
| Orexin/Hypocretin receptor type 1 | Ki | = | 6.0 | nM | 8.22 | Radioligand Binding Assay: Human Embryonic Kidney 293 cells (HEK293) stably expr... | - |
| Orexin/Hypocretin receptor type 1 | Ki | = | 6.0 | nM | 8.22 | Rat and Human Orexin 1 Receptor Radioligand Binding Studies: Human Embryonic Kid... | - |
| Orexin receptor type 2 | Ki | = | 60.0 | nM | 7.22 | Radioligand Binding Assay: HEK293 stably expressing human orexin 2 receptor (Gen... | - |
| Orexin receptor type 2 | Ki | = | 60.0 | nM | 7.22 | Human Orexin 2 Receptor Ca2+ Mobilization Assay: PFSK-1 cells endogenously expre... | - |
Data from ChEMBL 36 via Core Engine