Compound Detail
CHEMBL2419503
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Basic Information
| ChEMBL ID | CHEMBL2419503 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGQSNALVWIMFPP-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
391.4
MW (Da)
3.33
ALogP
4
HBA
2
HBD
91.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780 CHEMBL614004 | IC50 | 7.75 | 7.75 | 18.0 | 3 |
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 7.7 | 7.5933 | 20.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 18.0 | nM | 7.75 | Antiproliferative activity against human A2780 cells assessed as growth inhibiti... | 23859118 |
| A2780 | IC50 | = | 18.0 | nM | 7.75 | Cytotoxicity against human A2780 cells after 72 hrs by sulforhodamine B assay | 23899614 |
| A2780 | IC50 | = | 18.0 | nM | 7.75 | Antiproliferative activity against human A2780 cells after 72 hrs by sulforhodam... | 24279990 |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 20.0 | nM | 7.7 | Inhibition of human NAMPT using NAM/PRPP as substrate incubated for 15 mins prio... | 23899614 |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 29.0 | nM | 7.54 | Inhibition of C-terminal His-tagged NAMPT (unknown origin) expressed in Escheric... | 23859118 |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 29.0 | nM | 7.54 | Inhibition of Nampt (unknown origin) using nicotinamide as substrate preincubate... | 24279990 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23859118 | 10.1021/jm4008664 | Liver | 2 |
| 23899614 | 10.1016/j.bmcl.2013.06.090 | A2780 | 2 |
| 24279990 | 10.1016/j.bmcl.2013.11.006 | A2780 | 2 |
| 23859118 | 10.1021/jm4008664 | A2780 | 1 |
| 23859118 | 10.1021/jm4008664 | Nicotinamide phosphoribosyltransferase | 1 |
| 23899614 | 10.1016/j.bmcl.2013.06.090 | No relevant target | 1 |
| 23899614 | 10.1016/j.bmcl.2013.06.090 | Nicotinamide phosphoribosyltransferase | 1 |
| 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