Compound Detail
CHEMBL3094258
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Basic Information
| ChEMBL ID | CHEMBL3094258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWAHBFIOJHZMMK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
533.7
MW (Da)
3.17
ALogP
7
HBA
2
HBD
123.0
PSA (Ų)
0.16
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 9.96 | 9.96 | 0.1 | 1 |
| A2780 CHEMBL614004 | IC50 | 9.8 | 9.8 | 0.2 | 1 |
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 0.11 | nM | 9.96 | Cytotoxicity against human MCF-7 cells assessed as growth inhibition after 72 hr... | 24164086 |
| A2780 | IC50 | = | 0.16 | nM | 9.8 | Cytotoxicity against human A2780 cells assessed as growth inhibition after 72 hr... | 24164086 |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 2.4 | nM | 8.62 | Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substr... | 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