Compound Detail
CHEMBL5906602
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N#C/N=C(\NCc1ccc(S(=O)(=O)c2cccc(-n3nc(O)cc3O)c2)cc1)Nc1ccncc1
Basic Information
| ChEMBL ID | CHEMBL5906602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFMNIHJLMDITMT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
489.5
MW (Da)
2.55
ALogP
9
HBA
4
HBD
165.5
PSA (Ų)
0.18
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase | IC50 | = | 3.0 | nM | 8.52 | Biochemical Inhibition Assay: The NAMPT enzymatic reactions were carried out in ... | - |
Data from ChEMBL 36 via Core Engine