Compound Detail
CHEMBL3716040
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Basic Information
| ChEMBL ID | CHEMBL3716040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMUMMSDZNVWWOO-OUKQBFOZSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
4.44
ALogP
2
HBA
0
HBD
30.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.8 | 5.56 | 1600.0 | 2 |
| Jurkat CHEMBL397 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of cell proliferation of human U937 cells incubated for 72 hrs by Ala... | - |
| NON-PROTEIN TARGET | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of cell proliferation of human Calu6 cells incubated for 72 hrs by Al... | - |
| Jurkat | IC50 | = | 5500.0 | nM | 5.26 | Inhibition of cell proliferation of human Jurkat cells incubated for 72 hrs by A... | - |
Data from ChEMBL 36 via Core Engine