Compound Detail
CHEMBL186452
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Basic Information
| ChEMBL ID | CHEMBL186452 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QECLEPJOSVQLRW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
5.36
ALogP
2
HBA
0
HBD
29.5
PSA (Ų)
0.59
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1B CHEMBL1946 | IC50 | 8.26 | 8.26 | 5.5 | 1 |
| Melatonin receptor type 1A CHEMBL1945 | IC50 | 6.29 | 6.29 | 512.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1B | IC50 | = | 5.5 | nM | 8.26 | Inhibitory concentration against Melatonin receptor type 1B | 15501061 |
| Melatonin receptor type 1A | IC50 | = | 512.0 | nM | 6.29 | Inhibitory concentration against Melatonin receptor type 1A | 15501061 |
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 |
Data from ChEMBL 36 via Core Engine