Compound Detail
CHEMBL111718
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Basic Information
| ChEMBL ID | CHEMBL111718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBFSZEXYMGVTCZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
275.4
MW (Da)
3.29
ALogP
3
HBA
1
HBD
51.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor CHEMBL2094268 | IC50 | 8.23 | 8.23 | 5.8 | 1 |
| Melatonin receptor type 1A CHEMBL1945 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor | IC50 | = | 5.82 | nM | 8.23 | Monophasic inhibitory concentration against melatonin receptor was measured on o... | 7932550 |
| Melatonin receptor type 1A | IC50 | = | 6.31 | nM | 8.2 | Melatonin receptor type 1A binding affinity measured using 2-[125I]iodomelatonin... | 9804685 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932550 | 10.1021/jm00046a006 | Melatonin receptor | 4 |
| 9804685 | 10.1021/jm980026p | Melatonin receptor type 1A | 1 |
Data from ChEMBL 36 via Core Engine