Compound Detail
CHEMBL6038461
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Basic Information
| ChEMBL ID | CHEMBL6038461 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSGSMCRONWAJAL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
3.42
ALogP
7
HBA
0
HBD
86.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.7 | 7.69 | 2.0 | 2 |
| Orexin/Hypocretin receptor type 1 CHEMBL1075232 | Ki | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 2.0 | nM | 8.7 | Receptor Radioligand Binding Assay: HEK293 stably expressing human orexin 2 rece... | - |
| Orexin/Hypocretin receptor type 1 | Ki | = | 4.0 | nM | 8.4 | Receptor Radioligand Binding Assay: Human Embryonic Kidney 293 cells (HEK293) st... | - |
| Unchecked | Ki | = | 208.0 | nM | 6.68 | Receptor Radioligand Binding Assay: Human Embryonic Kidney 293 cells (HEK293) st... | - |
Data from ChEMBL 36 via Core Engine