Compound Detail
CHEMBL53640
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Basic Information
| ChEMBL ID | CHEMBL53640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHEZBAGBVPEOSK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
1.77
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor CHEMBL2095154 | Ki | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor | Ki | = | 130.0 | nM | 6.89 | Binding affinity towards melatonin receptor in chicken brain. | 8627603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9748358 | 10.1021/jm9810093 | Melatonin receptor | 1 |
| 8627603 | 10.1021/jm9508189 | Melatonin receptor | 1 |
Data from ChEMBL 36 via Core Engine