Compound Detail
CHEMBL3913732
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Basic Information
| ChEMBL ID | CHEMBL3913732 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIAAYEOVAKNOMA-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
3.50
ALogP
3
HBA
3
HBD
81.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.85
Ki 1 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PC-3 CHEMBL390 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | Ki | 8.31 | 8.31 | 4.9 | 1 |
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 8.01 | 8.01 | 9.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PC-3 | IC50 | = | 1.4 | nM | 8.85 | Antiproliferative activity against human PC3 cells assessed as reduction in cell... | 28610984 |
| Nicotinamide phosphoribosyltransferase | Ki | = | 4.9 | nM | 8.31 | Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoin... | 28610984 |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 9.85 | nM | 8.01 | Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Binding Assay : P... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28610984 | 10.1016/j.bmcl.2017.06.018 | Nicotinamide phosphoribosyltransferase | 1 |
| 28610984 | 10.1016/j.bmcl.2017.06.018 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine