Compound Detail
CHEMBL3890237
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Basic Information
| ChEMBL ID | CHEMBL3890237 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAMGCJPGSGVTBP-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
2.33
ALogP
2
HBA
2
HBD
75.4
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.11
Ki 1 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | Ki | 6.25 | 6.25 | 560.0 | 1 |
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 6.11 | 6.11 | 780.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 148.33 | mL.min-1.kg-1 | Mus musculus |
| CL | 20.0 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase | Ki | = | 560.0 | nM | 6.25 | Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoin... | 28610984 |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 780.0 | nM | 6.11 | Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Binding Assay : P... | - |
| PC-3 | IC50 | = | 8000.0 | nM | 5.1 | Antiproliferative activity against human PC3 cells assessed as reduction in cell... | 28610984 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28610984 | 10.1016/j.bmcl.2017.06.018 | Liver | 2 |
| 28610984 | 10.1016/j.bmcl.2017.06.018 | Nicotinamide phosphoribosyltransferase | 1 |
| 28610984 | 10.1016/j.bmcl.2017.06.018 | PC-3 | 1 |
| 28610984 | 10.1016/j.bmcl.2017.06.018 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine