Compound Detail
CHEMBL3394725
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Basic Information
| ChEMBL ID | CHEMBL3394725 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLGKTDVGIKUXHU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
467.6
MW (Da)
3.51
ALogP
6
HBA
1
HBD
90.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780 CHEMBL614004 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 7.73 | 7.725 | 18.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 6.0 | nM | 8.22 | Antiproliferative activity against human A2780 cells after 72 hrs by SRB method | 25556090 |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 18.5 | nM | 7.73 | Enzymatic Reaction Assay: The NAMPT enzymatic reactions were carried out in Buff... | - |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 19.0 | nM | 7.72 | Inhibition of human C-terminal His6-tagged NAMPT expressed in Escherichia coli R... | 25556090 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25556090 | 10.1016/j.bmcl.2014.12.026 | A2780 | 2 |
| 25556090 | 10.1016/j.bmcl.2014.12.026 | MDCK | 2 |
| 25556090 | 10.1016/j.bmcl.2014.12.026 | Nicotinamide phosphoribosyltransferase | 1 |
| 25556090 | 10.1016/j.bmcl.2014.12.026 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine