Compound Detail
CHEMBL287988
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Basic Information
| ChEMBL ID | CHEMBL287988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFYBUGNKEMKVQW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
3.09
ALogP
3
HBA
1
HBD
43.3
PSA (Ų)
0.95
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor CHEMBL2095154 | Ki | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor | Ki | = | 30.0 | nM | 7.52 | Binding affinity towards melatonin receptor was determined using 2-[125I]iodomel... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80566-7 | Melatonin receptor | 1 |
| - | 10.1016/S0960-894X(01)80566-7 | Xenopus laevis | 1 |
Data from ChEMBL 36 via Core Engine