Compound Detail
CHEMBL109086
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Basic Information
| ChEMBL ID | CHEMBL109086 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZBQFPHBXMWVJP-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
2.38
ALogP
2
HBA
2
HBD
54.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.72
Ki 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor CHEMBL2094268 | IC50 | 8.72 | 8.72 | 1.9 | 1 |
| Melatonin receptor type 1A CHEMBL1945 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Melatonin receptor CHEMBL2095154 | Ki | 8.6 | 8.6 | 2.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor | IC50 | = | 1.89 | nM | 8.72 | Monophasic inhibitory concentration against melatonin receptor was measured on o... | 7932550 |
| Melatonin receptor type 1A | IC50 | = | 1.995 | nM | 8.7 | Melatonin receptor type 1A binding affinity measured using 2-[125I]iodomelatonin... | 9804685 |
| Melatonin receptor | Ki | = | 2.512 | nM | 8.6 | Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomel... | 9057860 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932550 | 10.1021/jm00046a006 | Melatonin receptor | 4 |
| 9057860 | 10.1021/jm960680+ | Melatonin receptor | 1 |
| 9804685 | 10.1021/jm980026p | Melatonin receptor type 1A | 1 |
Data from ChEMBL 36 via Core Engine