Compound Detail
CHEMBL6016196
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C[C@@]1(c2nc3cc(C(F)(F)F)ccc3[nH]2)CCCN1C(=O)c1cc(Br)ccc1-c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL6016196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URIHGJROOMIUNL-VWLOTQADSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
528.4
MW (Da)
7.16
ALogP
2
HBA
1
HBD
49.0
PSA (Ų)
0.31
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin receptor type 2 CHEMBL4792 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | IC50 | 6.95 | 6.95 | 113.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 2 | IC50 | = | 1.0 | nM | 9.0 | Inhibition Assay: Chinese hamster ovary (CHO) cells expressing the human orexin-... | - |
| Orexin/Hypocretin receptor type 1 | IC50 | = | 113.0 | nM | 6.95 | Inhibition Assay: Chinese hamster ovary (CHO) cells expressing the human orexin-... | - |
Data from ChEMBL 36 via Core Engine