Compound Detail
CHEMBL5575726
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Basic Information
| ChEMBL ID | CHEMBL5575726 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSFIMLHOVFSCHW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
398.4
MW (Da)
4.66
ALogP
4
HBA
1
HBD
50.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase | IC50 | = | 10.0 | nM | 8.0 | Inhibition of NAMPT (unknown origin) | 38244254 |
| A2780 | IC50 | = | 360.0 | nM | 6.44 | Antiproliferative activity against human A2780 cells assessed as reduction in ce... | 38244254 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38244254 | 10.1016/j.bmc.2024.117595 | Nicotinamide phosphoribosyltransferase | 1 |
| 38244254 | 10.1016/j.bmc.2024.117595 | A2780 | 1 |
Data from ChEMBL 36 via Core Engine