Compound Detail
CHEMBL5967507
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CCCS(=O)(=O)Nc1cccc(S(=O)(=O)c2ccc(CNC(=NC#N)Nc3ccncc3)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL5967507 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XADXLSXNCYCDPK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
512.6
MW (Da)
3.10
ALogP
7
HBA
3
HBD
153.4
PSA (Ų)
0.22
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase | IC50 | = | 2.1 | nM | 8.68 | Biochemical Inhibition Assay: The NAMPT enzymatic reactions were carried out in ... | - |
Data from ChEMBL 36 via Core Engine