Compound Detail
CHEMBL5803148
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Cc1ccc(-n2nccn2)c(C(=O)N2C(C)C3CC(Oc4ccc(C(F)(F)F)cn4)C2C3)n1
Basic Information
| ChEMBL ID | CHEMBL5803148 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXFSUKBBTQWXBQ-UHFFFAOYSA-N |
2
Targets
19
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
458.4
MW (Da)
3.46
ALogP
7
HBA
0
HBD
86.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 19 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 CHEMBL1075232 | Ki | 8.3 | 7.595 | 5.0 | 8 |
| Unchecked CHEMBL612545 | Ki | 8.3 | 7.0545 | 5.0 | 11 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine