Compound Detail
CHEMBL457126
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Basic Information
| ChEMBL ID | CHEMBL457126 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRLKOMOYZXLKGP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
304.4
MW (Da)
2.03
ALogP
4
HBA
2
HBD
80.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosyldihydronicotinamide dehydrogenase [quinone] CHEMBL3959 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosyldihydronicotinamide dehydrogenase [quinone] | IC50 | = | 3.02 | nM | 8.52 | Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expresse... | 18400335 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18400335 | 10.1016/j.ejmech.2008.02.012 | Ribosyldihydronicotinamide dehydrogenase [quinone] | 1 |
Data from ChEMBL 36 via Core Engine