Compound Detail
CHEMBL1774518
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Basic Information
| ChEMBL ID | CHEMBL1774518 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDWZKXTUDKKGJA-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
3.70
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.57
EC50 1 meas. best 9.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1A CHEMBL1945 | EC50 | 9.29 | 9.29 | 0.5 | 1 |
| Melatonin receptor type 1A CHEMBL1945 | Ki | 8.57 | 8.57 | 2.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1A | EC50 | = | 0.5129 | nM | 9.29 | Agonist activity at human MT1 receptor expressed in CHO cells assessed as inhibi... | 21473625 |
| Melatonin receptor type 1A | Ki | = | 2.7 | nM | 8.57 | Displacement of [125I]-2-iodomelatonin from human MT1 receptor expressed on CHO ... | 21473625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21473625 | 10.1021/jm200221q | Melatonin receptor type 1B | 2 |
| 21473625 | 10.1021/jm200221q | Melatonin receptor type 1A | 2 |
| 21473625 | 10.1021/jm200221q | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine