Compound Detail
CHEMBL3260356
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Basic Information
| ChEMBL ID | CHEMBL3260356 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIPXYZGQWPQZCV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
1.69
ALogP
6
HBA
2
HBD
117.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780 CHEMBL614004 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 6.96 | 6.955 | 110.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 45.0 | nM | 7.35 | Antiproliferative activity against human A2780 cells assessed as cell viability ... | 24021463 |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 110.0 | nM | 6.96 | Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Esche... | 24021463 |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 113.0 | nM | 6.95 | Enzymatic Reaction Assay: The NAMPT enzymatic reactions were carried out in Buff... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24021463 | 10.1016/j.bmcl.2013.08.074 | A2780 | 2 |
| 24021463 | 10.1016/j.bmcl.2013.08.074 | Nicotinamide phosphoribosyltransferase | 1 |
Data from ChEMBL 36 via Core Engine