Compound Detail
CHEMBL5542641
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CN1CCN(Cc2cn(-c3cccc(C(=O)NCCCCCCCn4cc(-c5cccnc5)nn4)c3)nn2)CC1
Basic Information
| ChEMBL ID | CHEMBL5542641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSSMXFVTTLWJGR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
542.7
MW (Da)
3.05
ALogP
10
HBA
1
HBD
109.9
PSA (Ų)
0.26
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 7.38 | 7.38 | 41.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase | IC50 | = | 41.8 | nM | 7.38 | Inhibition of NAMPT (unknown origin) | 37413882 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37413882 | 10.1016/j.ejmech.2023.115607 | Nicotinamide phosphoribosyltransferase | 1 |
| 37413882 | 10.1016/j.ejmech.2023.115607 | SH-SY5Y | 1 |
Data from ChEMBL 36 via Core Engine