Compound Detail
CHEMBL5742009
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O=C(NC[C@@H]1C[C@@H](F)CN1C(=O)c1ccccc1-c1ccccc1)c1cccc2cccnc12
Basic Information
| ChEMBL ID | CHEMBL5742009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTPNZRYZZTWQMZ-YADHBBJMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
453.5
MW (Da)
4.88
ALogP
3
HBA
1
HBD
62.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin receptor type 2 CHEMBL4792 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 2 | IC50 | = | 30.0 | nM | 7.52 | Cell-based Functional Assay: Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CH... | - |
| Orexin/Hypocretin receptor type 1 | IC50 | = | 35.0 | nM | 7.46 | Cell-based Functional Assay: Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CH... | - |
Data from ChEMBL 36 via Core Engine