Compound Detail
CHEMBL3925932
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Basic Information
| ChEMBL ID | CHEMBL3925932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQZOFBYIXFWUHB-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
4.02
ALogP
3
HBA
2
HBD
70.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.81
Ki 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 7.81 | 7.725 | 15.4 | 2 |
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | Ki | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase | IC50 | = | 15.4 | nM | 7.81 | Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Binding Assay : P... | - |
| Nicotinamide phosphoribosyltransferase | Ki | = | 16.0 | nM | 7.8 | Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoin... | 28610984 |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 22.9 | nM | 7.64 | Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Binding Assay : P... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28610984 | 10.1016/j.bmcl.2017.06.018 | Nicotinamide phosphoribosyltransferase | 1 |
| 28610984 | 10.1016/j.bmcl.2017.06.018 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine