Compound Detail
CHEMBL521827
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Basic Information
| ChEMBL ID | CHEMBL521827 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFPAHXTUSUVJEM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
328.3
MW (Da)
3.18
ALogP
5
HBA
2
HBD
93.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosyldihydronicotinamide dehydrogenase [quinone] CHEMBL3959 | IC50 | 7.25 | 7.25 | 56.2 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.25 | 7.25 | 56.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 56.0 | nM | 7.25 | Inhibition of MT3 melatonin binding site from hamster brain membrane | 18372181 |
| Ribosyldihydronicotinamide dehydrogenase [quinone] | IC50 | = | 56.23 | nM | 7.25 | Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expresse... | 18400335 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18372181 | 10.1016/j.bmc.2008.03.036 | Unchecked | 3 |
| 18372181 | 10.1016/j.bmc.2008.03.036 | Melatonin receptor type 1A | 1 |
| 18372181 | 10.1016/j.bmc.2008.03.036 | Melatonin receptor type 1B | 1 |
| 18400335 | 10.1016/j.ejmech.2008.02.012 | Ribosyldihydronicotinamide dehydrogenase [quinone] | 1 |
Data from ChEMBL 36 via Core Engine