Compound Detail
CHEMBL3753643
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Basic Information
| ChEMBL ID | CHEMBL3753643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXPHTSXTCFFING-WUKNDPDISA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
437.6
MW (Da)
4.87
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.28
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.29
EC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 10.29 | 10.29 | 0.1 | 1 |
| SH-SY5Y CHEMBL614910 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| Nicotinamide phosphoribosyltransferase CHEMBL3259474 | IC50 | 6.94 | 6.94 | 114.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase | IC50 | = | 0.0509 | nM | 10.29 | Inhibition of NAMPT in human SH-SY5Y cells assessed as NAD depletion incubated f... | - |
| SH-SY5Y | EC50 | = | 20.0 | nM | 7.7 | Cytotoxicity against human SH-SY5Y cells assessed as reduction in cell viability... | - |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 114.0 | nM | 6.94 | Inhibition of recombinant mouse NAMPT expressed in bacteria assessed as reductio... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00261C | SH-SY5Y | 3 |
| - | 10.1039/C5MD00261C | Nicotinamide phosphoribosyltransferase | 2 |
Data from ChEMBL 36 via Core Engine