Compound Detail
CHEMBL4206641
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Basic Information
| ChEMBL ID | CHEMBL4206641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKBVILNJYCRNQY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
3.20
ALogP
4
HBA
2
HBD
91.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
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 | 8.51 | 3.1 | 1 |
| A2780 CHEMBL614004 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
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 full length recombinant C-terminal His8-tagged human NAMPT using 1... | 29275937 |
| A2780 | IC50 | = | 100.0 | nM | 7.0 | Antiproliferative activity against human A2780 cells after 4 days by CellTiter-G... | 29275937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29275937 | 10.1016/j.bmcl.2017.12.037 | A2780 | 1 |
| 29275937 | 10.1016/j.bmcl.2017.12.037 | COR-L23 | 1 |
| 29275937 | 10.1016/j.bmcl.2017.12.037 | Nicotinamide phosphoribosyltransferase | 1 |
Data from ChEMBL 36 via Core Engine