Compound Detail
CHEMBL4464821
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCOC(=O)C1CCN(Cc2cn(-c3ccccc3C(=O)NCCCCCCCn3cc(-c4cccnc4)nn3)nn2)CC1
Basic Information
| ChEMBL ID | CHEMBL4464821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGAYAICCBULXAO-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
599.7
MW (Da)
4.08
ALogP
11
HBA
1
HBD
132.9
PSA (Ų)
0.16
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.21
IC50 1 meas. best 7.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase CHEMBL3259474 | IC50 | 7.69 | 7.69 | 20.6 | 1 |
| SH-SY5Y CHEMBL614910 | EC50 | 7.21 | 7.21 | 61.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase | IC50 | = | 20.6 | nM | 7.69 | Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expressio... | 31400709 |
| SH-SY5Y | EC50 | = | 61.5 | nM | 7.21 | Cytotoxicity against human SH-SY5Y cells measured after 48 hrs by MTT assay | 31400709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 | Nicotinamide phosphoribosyltransferase | 1 |
Data from ChEMBL 36 via Core Engine