Compound Detail
CHEMBL187593
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Basic Information
| ChEMBL ID | CHEMBL187593 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZMBWEHNBRZOCJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
3.78
ALogP
3
HBA
0
HBD
38.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1B CHEMBL1946 | IC50 | 7.12 | 7.12 | 76.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1B | IC50 | = | 76.0 | nM | 7.12 | Inhibitory concentration against Melatonin receptor type 1B | 15501061 |
| Melatonin receptor type 1B | IC50 | = | 76.0 | nM | 7.12 | Antagonist activity at MT2 receptor (unknown origin) assessed as cAMP accumulati... | 24228714 |
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 |
| 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