Compound Detail
CHEMBL5856753
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CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5856753 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRVJDGLBXPMRNV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
513.6
MW (Da)
2.94
ALogP
7
HBA
2
HBD
122.1
PSA (Ų)
0.52
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 8.11 | 8.11 | 7.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase | IC50 | = | 7.7 | nM | 8.11 | Enzymatic Reaction Assay: The NAMPT enzymatic reactions were carried out in Buff... | - |
Data from ChEMBL 36 via Core Engine