Compound Detail
CHEMBL2391550
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Basic Information
| ChEMBL ID | CHEMBL2391550 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBBMPYVJMJCAIO-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
3.49
ALogP
4
HBA
1
HBD
76.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 7.68 | 7.006 | 21.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase | IC50 | = | 21.0 | nM | 7.68 | Competitive inhibition of Nampt (unknown origin) after 15 mins in presence of 1 ... | 23617784 |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 28.0 | nM | 7.55 | Inhibition of Nampt (unknown origin) using NAM/PRPP as substrate preincubated fo... | 23617784 |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 64.0 | nM | 7.19 | Competitive inhibition of Nampt (unknown origin) after 15 mins in presence of 5 ... | 23617784 |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 195.0 | nM | 6.71 | Competitive inhibition of Nampt (unknown origin) after 15 mins in presence of 25... | 23617784 |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 1247.0 | nM | 5.9 | Competitive inhibition of Nampt (unknown origin) after 15 mins in presence of 12... | 23617784 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23617784 | 10.1021/jm400186h | Nicotinamide phosphoribosyltransferase | 6 |
| 23617784 | 10.1021/jm400186h | No relevant target | 1 |
| 23617784 | 10.1021/jm400186h | Liver microsomes | 1 |
| 23617784 | 10.1021/jm400186h | Liver | 1 |
| 23617784 | 10.1021/jm400186h | A2780 | 1 |
Data from ChEMBL 36 via Core Engine