Compound Detail
CHEMBL5888264
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CC(C)CC(=O)N1CCC(CC(=O)N2CCC3(CC2)CC3CNC(=O)N2Cc3ccncc3C2)CC1
Basic Information
| ChEMBL ID | CHEMBL5888264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCGHXMGQCIRQJN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
495.7
MW (Da)
3.41
ALogP
4
HBA
1
HBD
85.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 7.89 | 7.89 | 12.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase | IC50 | = | 12.8 | nM | 7.89 | Biochemical Inhibition Assay: NAMPT Protein Purification. Recombinant His-tagged... | - |
Data from ChEMBL 36 via Core Engine