Compound Detail
CHEMBL2417789
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Basic Information
| ChEMBL ID | CHEMBL2417789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZEFXHXAAUHNPC-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
425.9
MW (Da)
3.61
ALogP
5
HBA
2
HBD
107.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.59
EC50 1 meas. best 8.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 8.59 | 8.59 | 2.6 | 2 |
| A2780 CHEMBL614004 | EC50 | 8.39 | 8.39 | 4.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase | IC50 | = | 2.6 | nM | 8.59 | Inhibition of recombinant his-tagged NAMPT (unknown origin) expressed in Escheri... | 23679915 |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 2.6 | nM | 8.59 | Biochemical Inhibition Assay: The NAMPT enzymatic reactions were carried out in ... | - |
| A2780 | EC50 | = | 4.1 | nM | 8.39 | Cytotoxicity against human A2780 cells after 72 hrs by SRB assay | 23679915 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23679915 | 10.1021/jm4001049 | A2780 | 1 |
| 23679915 | 10.1021/jm4001049 | Nicotinamide phosphoribosyltransferase | 1 |
Data from ChEMBL 36 via Core Engine