Compound Detail
CHEMBL5744668
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
CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(CNC(=O)c4ccc5nccn5c4)cc3)CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL5744668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VACMXAVGIIZNKW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
524.6
MW (Da)
1.44
ALogP
7
HBA
1
HBD
107.3
PSA (Ų)
0.52
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase | IC50 | = | 2.7 | nM | 8.57 | Enzymatic Reaction Assay: The NAMPT enzymatic reactions were carried out in Buff... | - |
Data from ChEMBL 36 via Core Engine