Compound Detail
CHEMBL3753517
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3753517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSTUESGRPXXFBJ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
4.75
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.37
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.96
EC50 1 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
| Nicotinamide phosphoribosyltransferase CHEMBL3259474 | IC50 | 6.57 | 6.57 | 267.0 | 1 |
| SH-SY5Y CHEMBL614910 | EC50 | 6.34 | 6.34 | 456.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase | IC50 | = | 1.1 | nM | 8.96 | Inhibition of NAMPT in human SH-SY5Y cells assessed as NAD depletion incubated f... | - |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 267.0 | nM | 6.57 | Inhibition of recombinant mouse NAMPT expressed in bacteria assessed as reductio... | - |
| SH-SY5Y | EC50 | = | 456.0 | nM | 6.34 | Cytotoxicity against human SH-SY5Y cells assessed as reduction in cell viability... | - |
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