Compound Detail
CHEMBL493414
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Basic Information
| ChEMBL ID | CHEMBL493414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPUVYHBPRBDQLZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
3.46
ALogP
4
HBA
2
HBD
80.6
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 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1A CHEMBL1945 | IC50 | 5.27 | 5.27 | 5320.0 | 1 |
| Melatonin receptor type 1B CHEMBL1946 | IC50 | 5.27 | 5.27 | 5320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1A | IC50 | = | 5320.0 | nM | 5.27 | Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK29... | 18372181 |
| Melatonin receptor type 1B | IC50 | = | 5320.0 | nM | 5.27 | Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK29... | 18372181 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18372181 | 10.1016/j.bmc.2008.03.036 | Melatonin receptor type 1A | 1 |
| 18372181 | 10.1016/j.bmc.2008.03.036 | Melatonin receptor type 1B | 1 |
| 18372181 | 10.1016/j.bmc.2008.03.036 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine