Compound Detail
CHEMBL1760957
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Basic Information
| ChEMBL ID | CHEMBL1760957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHKIWNIEUVDHIM-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
287.4
MW (Da)
2.06
ALogP
4
HBA
1
HBD
56.1
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.89
Ki 2 meas. best 9.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1B CHEMBL1946 | Ki | 9.17 | 9.17 | 0.7 | 1 |
| Melatonin receptor type 1B CHEMBL1946 | EC50 | 8.89 | 8.89 | 1.3 | 1 |
| Melatonin receptor type 1A CHEMBL1945 | Ki | 8.05 | 8.05 | 9.0 | 1 |
| Melatonin receptor type 1A CHEMBL1945 | EC50 | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1B | Ki | = | 0.68 | nM | 9.17 | Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in HEK2... | 21420861 |
| Melatonin receptor type 1B | EC50 | = | 1.3 | nM | 8.89 | Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgamma b... | 21420861 |
| Melatonin receptor type 1A | Ki | = | 9.0 | nM | 8.05 | Displacement of 2-[125I]-iodomelatonin from human MT1 receptor expressed in HEK2... | 21420861 |
| Melatonin receptor type 1A | EC50 | = | 16.0 | nM | 7.8 | Agonist activity at human MT1 receptor expressed in CHO cells by [35S]GTPgamma b... | 21420861 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21420861 | 10.1016/j.bmcl.2011.02.097 | Melatonin receptor type 1B | 3 |
| 21420861 | 10.1016/j.bmcl.2011.02.097 | Melatonin receptor type 1A | 3 |
| 21420861 | 10.1016/j.bmcl.2011.02.097 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine