Compound Detail
CHEMBL37703
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Basic Information
| ChEMBL ID | CHEMBL37703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAKIYDSAWRUMNQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
271.4
MW (Da)
3.16
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
IC50 2 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1A CHEMBL1945 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
| Ribosyldihydronicotinamide dehydrogenase [quinone] CHEMBL3959 | IC50 | 7.36 | 7.36 | 43.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1A | IC50 | = | 2.512 | nM | 8.6 | Melatonin receptor type 1A binding affinity measured using 2-[125I]iodomelatonin... | 9804685 |
| Ribosyldihydronicotinamide dehydrogenase [quinone] | IC50 | = | 43.65 | nM | 7.36 | Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expresse... | 18400335 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932550 | 10.1021/jm00046a006 | Melatonin receptor | 5 |
| 1315395 | 10.1021/jm00086a018 | Melatonin receptor | 1 |
| 9804685 | 10.1021/jm980026p | Melatonin receptor type 1A | 1 |
| 18400335 | 10.1016/j.ejmech.2008.02.012 | Ribosyldihydronicotinamide dehydrogenase [quinone] | 1 |
Data from ChEMBL 36 via Core Engine