Compound Detail
CHEMBL3655676
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Cc1ccc(-c2cn[nH]c2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CC[C@H]2C)c1
Basic Information
| ChEMBL ID | CHEMBL3655676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZMUAGSAWQJPQK-IAGOWNOFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
4.24
ALogP
4
HBA
1
HBD
71.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin receptor type 2 CHEMBL1275216 | Ki | 9.32 | 9.32 | 0.5 | 1 |
| Orexin/Hypocretin receptor type 1 CHEMBL1075232 | Ki | 8.15 | 8.15 | 7.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 2 | Ki | = | 0.48 | nM | 9.32 | Radioligand Binding Assay: Radioligand binding assay described in Bergman et. al... | - |
| Orexin/Hypocretin receptor type 1 | Ki | = | 7.1 | nM | 8.15 | Radioligand Binding Assay: Radioligand binding assay described in Bergman et. al... | - |
Data from ChEMBL 36 via Core Engine