Compound Detail
CHEMBL477048
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Basic Information
| ChEMBL ID | CHEMBL477048 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTHAYGOTNLRTGW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
353.5
MW (Da)
4.04
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.05 | 7.83 | 0.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.89 | nM | 9.05 | Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected... | 19329323 |
| Unchecked | Ki | = | 247.0 | nM | 6.61 | Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected... | 19329323 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19329323 | 10.1016/j.bmc.2009.03.023 | Unchecked | 9 |
Data from ChEMBL 36 via Core Engine