Compound Detail
CHEMBL3908644
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Basic Information
| ChEMBL ID | CHEMBL3908644 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVZNSUOYEMWTPR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
3.77
ALogP
4
HBA
2
HBD
87.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 7.8 | 7.74 | 16.0 | 2 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase | IC50 | = | 16.0 | nM | 7.8 | Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability ... | 27541271 |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 21.0 | nM | 7.68 | Inhibition of human full length C-terminal His6-tagged NAMPT expressed in Escher... | 27541271 |
| Cytochrome P450 2C9 | IC50 | = | 400.0 | nM | 6.4 | Reversible inhibition of CYP2C9 in human liver microsomes using (S)-warfarin as ... | 27541271 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27541271 | 10.1021/acs.jmedchem.6b00697 | Nicotinamide phosphoribosyltransferase | 2 |
| 27541271 | 10.1021/acs.jmedchem.6b00697 | Cytochrome P450 2C9 | 1 |
| 27541271 | 10.1021/acs.jmedchem.6b00697 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine