Compound Detail
CHEMBL187525
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Basic Information
| ChEMBL ID | CHEMBL187525 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYRDIKPCKNULKX-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
5.37
ALogP
3
HBA
0
HBD
38.8
PSA (Ų)
0.54
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.01
Ki 1 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1B CHEMBL1946 | IC50 | 8.01 | 8.01 | 9.7 | 2 |
| Melatonin receptor type 1B CHEMBL1946 | Ki | 8.01 | 8.01 | 9.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1B | IC50 | = | 9.7 | nM | 8.01 | Inhibitory concentration against Melatonin receptor type 1B | 15501061 |
| Melatonin receptor type 1B | IC50 | = | 9.7 | nM | 8.01 | Antagonist activity at MT2 receptor (unknown origin) assessed as cAMP accumulati... | 24228714 |
| Melatonin receptor type 1B | Ki | = | 9.772 | nM | 8.01 | Inhibition of 2-[125I]iodomelatonin binding to human melatonin receptor MT2 expr... | 15943478 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15501061 | 10.1016/j.bmcl.2004.09.024 | Melatonin receptor type 1B | 1 |
| 15501061 | 10.1016/j.bmcl.2004.09.024 | Melatonin receptor type 1A | 1 |
| 15501061 | 10.1016/j.bmcl.2004.09.024 | Melatonin receptor | 1 |
| 15943478 | 10.1021/jm048956y | Melatonin receptor type 1A | 1 |
| 15943478 | 10.1021/jm048956y | Melatonin receptor type 1B | 1 |
| 24228714 | 10.1021/jm401343c | Unchecked | 1 |
| 24228714 | 10.1021/jm401343c | Melatonin receptor type 1A | 1 |
| 24228714 | 10.1021/jm401343c | Melatonin receptor type 1B | 1 |
Data from ChEMBL 36 via Core Engine