Compound Detail
CHEMBL2413517
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Basic Information
| ChEMBL ID | CHEMBL2413517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEEAYUXIGFRTRF-JOCHJYFZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
433.6
MW (Da)
3.93
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin receptor type 2 CHEMBL4792 | Kd | 8.7 | 8.7 | 2.0 | 1 |
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | Kd | 6.16 | 6.16 | 696.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 2 | Kd | = | 2.0 | nM | 8.7 | Binding affinity to orexin receptor 2 (unknown origin) | 23891187 |
| Orexin/Hypocretin receptor type 1 | Kd | = | 696.0 | nM | 6.16 | Binding affinity to orexin receptor 1 (unknown origin) | 23891187 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23891187 | 10.1016/j.bmcl.2013.06.057 | Orexin receptor type 2 | 1 |
| 23891187 | 10.1016/j.bmcl.2013.06.057 | Orexin/Hypocretin receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine