Compound Detail
CHEMBL3343254
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Basic Information
| ChEMBL ID | CHEMBL3343254 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZDOYGPQRTYYQX-FDDCHVKYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
4.44
ALogP
6
HBA
1
HBD
69.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin receptor type 2 CHEMBL4792 | Ki | 7.46 | 7.46 | 35.0 | 1 |
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | Ki | 6.54 | 6.54 | 291.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 2 | Ki | = | 35.0 | nM | 7.46 | Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 ... | 25267004 |
| Orexin/Hypocretin receptor type 1 | Ki | = | 291.0 | nM | 6.54 | Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 ... | 25267004 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25267004 | 10.1016/j.bmc.2014.08.034 | Orexin receptor type 2 | 1 |
| 25267004 | 10.1016/j.bmc.2014.08.034 | Orexin/Hypocretin receptor type 1 | 1 |
| 25267004 | 10.1016/j.bmc.2014.08.034 | ADMET | 1 |
| 25267004 | 10.1016/j.bmc.2014.08.034 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine