Compound Detail
CHEMBL365899
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Basic Information
| ChEMBL ID | CHEMBL365899 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXKCMHWWTYZAIX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
455.6
MW (Da)
6.15
ALogP
3
HBA
0
HBD
38.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1B CHEMBL1946 | IC50 | 6.62 | 6.565 | 240.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1B | IC50 | = | 240.0 | nM | 6.62 | Inhibitory concentration against Melatonin receptor type 1B | 15501061 |
| Melatonin receptor type 1B | IC50 | = | 310.0 | nM | 6.51 | Inhibitory concentration against Melatonin receptor type 1B | 15501061 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15501061 | 10.1016/j.bmcl.2004.09.024 | Melatonin receptor type 1B | 2 |
Data from ChEMBL 36 via Core Engine