Compound Detail
CHEMBL3946479
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Cc1cc(C(=O)N2CCOC[C@H]2Cc2ccc(C)c(-c3ncon3)c2)c(-n2nccn2)cc1C
Basic Information
| ChEMBL ID | CHEMBL3946479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLTFUAAXCYAOLA-HXUWFJFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
458.5
MW (Da)
3.33
ALogP
8
HBA
0
HBD
99.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
| Orexin receptor type 2 CHEMBL4792 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 | IC50 | = | 0.4 | nM | 9.4 | OX Inhibition Assay: Chinese hamster ovary (CHO) cells expressing the human orex... | - |
| Orexin receptor type 2 | IC50 | = | 13.0 | nM | 7.89 | OX Inhibition Assay: Chinese hamster ovary (CHO) cells expressing the human orex... | - |
Data from ChEMBL 36 via Core Engine