Compound Detail
CHEMBL3094249
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Basic Information
| ChEMBL ID | CHEMBL3094249 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCNYSEPIVAUHHV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
3.25
ALogP
5
HBA
3
HBD
111.4
PSA (Ų)
0.19
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
| A2780 CHEMBL614004 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 6.03 | 6.03 | 940.0 | 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 HepG2 cells using [14C]-nicotinamide/PRPP as substr... | 24164086 |
| A2780 | IC50 | = | 35.0 | nM | 7.46 | Cytotoxicity against human A2780 cells assessed as growth inhibition after 72 hr... | 24164086 |
| MCF7 | IC50 | = | 940.0 | nM | 6.03 | Cytotoxicity against human MCF-7 cells assessed as growth inhibition after 72 hr... | 24164086 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24164086 | 10.1021/jm4009949 | Nicotinamide phosphoribosyltransferase | 1 |
| 24164086 | 10.1021/jm4009949 | MCF7 | 1 |
| 24164086 | 10.1021/jm4009949 | A2780 | 1 |
Data from ChEMBL 36 via Core Engine