Compound Detail
CHEMBL294517
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Basic Information
| ChEMBL ID | CHEMBL294517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSWDTRIARAZCSU-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
2.92
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor CHEMBL2095154 | Ki | 9.75 | 9.265 | 0.2 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor | Ki | = | 0.176 | nM | 9.75 | Effect of compound on Melatonin receptor in chicken brain in the presence of MnC... | 7783136 |
| Melatonin receptor | Ki | = | 0.68 | nM | 9.17 | Competitive binding by the displacement of 2-[125I]- Iodomelatonin binding from ... | 7783136 |
| Melatonin receptor | Ki | = | 0.6761 | nM | 9.17 | Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomel... | 9057860 |
| Melatonin receptor | Ki | = | 1.08 | nM | 8.97 | Effect of compound on Melatonin receptor in chicken brain in the presence of GTP... | 7783136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7783136 | 10.1021/jm00012a004 | Melatonin receptor | 3 |
| 9748358 | 10.1021/jm9810093 | Melatonin receptor | 1 |
| 9057860 | 10.1021/jm960680+ | Melatonin receptor | 1 |
Data from ChEMBL 36 via Core Engine