Compound Detail
CHEMBL2420666
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Basic Information
| ChEMBL ID | CHEMBL2420666 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDLLYRCFBHWBHB-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
2.44
ALogP
5
HBA
1
HBD
83.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 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 | 2 |
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 7.55 | 7.55 | 28.0 | 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 assessed as growth inhibiti... | 23859118 |
| A2780 | IC50 | = | 6.0 | nM | 8.22 | Antiproliferative activity against human A2780 cells assessed as cell viability ... | 24021463 |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 28.0 | nM | 7.55 | Inhibition of C-terminal His-tagged NAMPT (unknown origin) expressed in Escheric... | 23859118 |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 28.0 | nM | 7.55 | Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Esche... | 24021463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23859118 | 10.1021/jm4008664 | Liver | 2 |
| 24021463 | 10.1016/j.bmcl.2013.08.074 | A2780 | 2 |
| 23859118 | 10.1021/jm4008664 | A2780 | 1 |
| 23859118 | 10.1021/jm4008664 | Nicotinamide phosphoribosyltransferase | 1 |
| 24021463 | 10.1016/j.bmcl.2013.08.074 | Nicotinamide phosphoribosyltransferase | 1 |
Data from ChEMBL 36 via Core Engine