Compound Detail
CHEMBL4078882
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Basic Information
| ChEMBL ID | CHEMBL4078882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJISTDSJCDQGNW-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
5.68
ALogP
5
HBA
0
HBD
52.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.62
IC50 1 meas. best 7.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SH-SY5Y CHEMBL614910 | EC50 | 8.62 | 8.62 | 2.4 | 1 |
| Nicotinamide phosphoribosyltransferase CHEMBL3259474 | IC50 | 7.81 | 7.81 | 15.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SH-SY5Y | EC50 | = | 2.4 | nM | 8.62 | Cytotoxicity against human SH-SY5Y cells assessed as reduction in cell viability... | 28165742 |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 15.6 | nM | 7.81 | Inhibition of recombinant mouse NAMPT expressed in bacterial expression system u... | 28165742 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28165742 | 10.1021/acs.jmedchem.6b01392 | SH-SY5Y | 1 |
| 28165742 | 10.1021/acs.jmedchem.6b01392 | Nicotinamide phosphoribosyltransferase | 1 |
Data from ChEMBL 36 via Core Engine