Compound Detail
CHEMBL3098513
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Basic Information
| ChEMBL ID | CHEMBL3098513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMPXJXPBFXCFAN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
1.67
ALogP
6
HBA
2
HBD
119.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 8.36 | 8.36 | 4.4 | 1 |
| A2780 CHEMBL614004 | IC50 | 6.76 | 6.76 | 175.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase | IC50 | = | 4.4 | nM | 8.36 | Inhibition of Nampt (unknown origin) using nicotinamide as substrate preincubate... | 24279990 |
| A2780 | IC50 | = | 175.0 | nM | 6.76 | Antiproliferative activity against human A2780 cells after 72 hrs by sulforhodam... | 24279990 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24279990 | 10.1016/j.bmcl.2013.11.006 | A2780 | 2 |
| 24279990 | 10.1016/j.bmcl.2013.11.006 | Liver microsome | 1 |
| 24279990 | 10.1016/j.bmcl.2013.11.006 | ADMET | 1 |
| 24279990 | 10.1016/j.bmcl.2013.11.006 | Nicotinamide phosphoribosyltransferase | 1 |
Data from ChEMBL 36 via Core Engine