Compound Detail
CHEMBL195074
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Basic Information
| ChEMBL ID | CHEMBL195074 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIVCOABUKRODFP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
350.5
MW (Da)
4.34
ALogP
3
HBA
1
HBD
43.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1B CHEMBL1946 | Ki | 5.22 | 5.22 | 6025.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1B | Ki | = | 6025.6 | nM | 5.22 | Inhibition of 2-[125I]iodomelatonin binding to human melatonin receptor MT2 expr... | 15943478 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15943478 | 10.1021/jm048956y | Melatonin receptor type 1B | 2 |
| 15943478 | 10.1021/jm048956y | Melatonin receptor type 1A | 1 |
Data from ChEMBL 36 via Core Engine