Compound Detail
CHEMBL5851819
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N[C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3s2)cc1
Basic Information
| ChEMBL ID | CHEMBL5851819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AESMKIURUHZWJO-BCDXTJNWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
456.6
MW (Da)
2.87
ALogP
6
HBA
2
HBD
105.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 8.24 | 8.24 | 5.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase | IC50 | = | 5.8 | nM | 8.24 | Enzymatic Reaction Assay: The NAMPT enzymatic reactions were carried out in Buff... | - |
Data from ChEMBL 36 via Core Engine