Compound Detail
CHEMBL60033
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Basic Information
| ChEMBL ID | CHEMBL60033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZKSEYSZINVTKQ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
3.29
ALogP
2
HBA
2
HBD
54.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.64
Ki 1 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor CHEMBL2094268 | Ki | 7.2 | 7.2 | 63.0 | 1 |
| Melatonin receptor CHEMBL2094268 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor | Ki | = | 63.0 | nM | 7.2 | Binding affinity against melatonin receptor in the quail optica tecta using 2-[1... | 9207940 |
| Melatonin receptor | IC50 | = | 230.0 | nM | 6.64 | Inhibitory activity against melatonin receptor in the quail optica tecta using 2... | 9207940 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9207940 | 10.1021/jm960651z | Melatonin receptor | 5 |
| 9748358 | 10.1021/jm9810093 | Melatonin receptor | 1 |
| 9207940 | 10.1021/jm960651z | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine