Compound Detail
CHEMBL273624
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Basic Information
| ChEMBL ID | CHEMBL273624 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYTINUZZRXFLRJ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
324.8
MW (Da)
4.00
ALogP
2
HBA
1
HBD
34.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.47
EC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1B CHEMBL1946 | Ki | 7.47 | 7.47 | 33.9 | 1 |
| Melatonin receptor type 1A CHEMBL1945 | Ki | 6.55 | 6.55 | 282.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.68 | 5.68 | 2090.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1B | Ki | = | 33.9 | nM | 7.47 | Binding affinity towards recombinant human melatonin receptor type 1B expressed ... | 10737738 |
| Melatonin receptor type 1A | Ki | = | 282.0 | nM | 6.55 | Binding affinity towards recombinant human melatonin receptor type 1A expressed ... | 10737738 |
| Unchecked | EC50 | = | 2090.0 | nM | 5.68 | Effective concentration for its agonist activity against melatonin of Xenopus me... | 10737738 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10737738 | 10.1021/jm980684+ | Unchecked | 2 |
| 10737738 | 10.1021/jm980684+ | Melatonin receptor type 1A | 1 |
| 10737738 | 10.1021/jm980684+ | Melatonin receptor type 1B | 1 |
| 10737738 | 10.1021/jm980684+ | Melatonin receptor | 1 |
Data from ChEMBL 36 via Core Engine