Compound Detail
CHEMBL3586462
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3586462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHHSCLARESIWBH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
4
PK Parameters
8
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
1.56
ALogP
6
HBA
2
HBD
108.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 8.51 | 8.5 | 3.1 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 81.8 | ng.hr.mL-1 | Mus musculus |
| CL | 158.73 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 57.0 | nM | Mus musculus |
| F | 39.0 | % | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase | IC50 | = | 3.1 | nM | 8.51 | Inhibition of NAMPT (unknown origin) | 38244254 |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 3.2 | nM | 8.49 | Inhibition of NAMPT (unknown origin) | 37413882 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26101561 | 10.1021/acsmedchemlett.5b00187 | Mus musculus | 6 |
| 37413882 | 10.1016/j.ejmech.2023.115607 | ADMET | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 37413882 | 10.1016/j.ejmech.2023.115607 | Nicotinamide phosphoribosyltransferase | 1 |
| 38244254 | 10.1016/j.bmc.2024.117595 | Nicotinamide phosphoribosyltransferase | 1 |
Data from ChEMBL 36 via Core Engine