Compound Detail
CHEMBL162914
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Basic Information
| ChEMBL ID | CHEMBL162914 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAAONLCKYIPYGY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
271.4
MW (Da)
3.23
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor CHEMBL2095154 | Ki | 7.19 | 7.19 | 64.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor | Ki | = | 64.57 | nM | 7.19 | Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomel... | 9057860 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9057860 | 10.1021/jm960680+ | Melatonin receptor | 1 |
Data from ChEMBL 36 via Core Engine