Compound Detail
CHEMBL4535593
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CN1CCN(Cc2cn(-c3ccccc3C(=O)NCCCCCCCn3cc(-c4cccnc4)nn3)nn2)CC1
Basic Information
| ChEMBL ID | CHEMBL4535593 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOPNOYZVWMIJNN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
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
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase CHEMBL3259474 | IC50 | 7.87 | 7.87 | 13.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase | IC50 | = | 13.6 | nM | 7.87 | Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expressio... | 31400709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31400709 | 10.1016/j.ejmech.2019.111576 | Nicotinamide phosphoribosyltransferase | 2 |
| 31400709 | 10.1016/j.ejmech.2019.111576 | SH-SY5Y | 2 |
| 31400709 | 10.1016/j.ejmech.2019.111576 | No relevant target | 1 |
| 31400709 | 10.1016/j.ejmech.2019.111576 | ADMET | 1 |
| 31400709 | 10.1016/j.ejmech.2019.111576 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine