Compound Detail
CHEMBL5779669
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CC(C)(C)OC(=O)N1CCCC12CCCN(S(=O)(=O)c1ccc(CNC(=O)c3ccc4nccn4c3)cc1)CC2
Basic Information
| ChEMBL ID | CHEMBL5779669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACEDBRVMGBGSHC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
567.7
MW (Da)
4.21
ALogP
7
HBA
1
HBD
113.3
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase | IC50 | = | 8.99 | nM | 8.05 | Enzymatic Reaction Assay: The NAMPT enzymatic reactions were carried out in Buff... | - |
Data from ChEMBL 36 via Core Engine