Compound Detail
CHEMBL3949149
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Basic Information
| ChEMBL ID | CHEMBL3949149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSCKEKQHGYOUOL-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
3.56
ALogP
3
HBA
2
HBD
78.5
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 6.16
Ki 1 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | Ki | 6.46 | 6.46 | 350.0 | 1 |
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 6.16 | 6.16 | 696.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 4416.67 | mL.min-1.kg-1 | Mus musculus |
| CL | 433.33 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase | Ki | = | 350.0 | nM | 6.46 | Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoin... | 28610984 |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 696.0 | nM | 6.16 | 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 | Liver | 2 |
| 28610984 | 10.1016/j.bmcl.2017.06.018 | Nicotinamide phosphoribosyltransferase | 1 |
| 28610984 | 10.1016/j.bmcl.2017.06.018 | PC-3 | 1 |
| 28610984 | 10.1016/j.bmcl.2017.06.018 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine