Compound Detail
CHEMBL3099894
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Basic Information
| ChEMBL ID | CHEMBL3099894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQFLNDBVLNDBCI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
5.21
ALogP
5
HBA
1
HBD
73.3
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin receptor type 2 CHEMBL4792 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | Ki | 5.97 | 5.97 | 1073.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 2 | Ki | = | 0.8 | nM | 9.1 | Displacement of [3H]SB-674042 from human orexin-2 receptor after 60 mins by scin... | 24215892 |
| Orexin/Hypocretin receptor type 1 | Ki | = | 1073.0 | nM | 5.97 | Displacement of [3H]SB-674042 from human orexin-1 receptor after 60 mins by scin... | 24215892 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24215892 | 10.1016/j.bmcl.2013.10.045 | Unchecked | 1 |
| 24215892 | 10.1016/j.bmcl.2013.10.045 | Orexin/Hypocretin receptor type 1 | 1 |
| 24215892 | 10.1016/j.bmcl.2013.10.045 | Orexin receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine