Compound Detail
CHEMBL3716423
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Basic Information
| ChEMBL ID | CHEMBL3716423 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWLNMKMSDVVNNV-ZHACJKMWSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
4.14
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.7 | 6.4 | 200.0 | 2 |
| Jurkat CHEMBL397 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 200.0 | nM | 6.7 | Inhibition of cell proliferation of human U937 cells incubated for 72 hrs by Ala... | - |
| Jurkat | IC50 | = | 600.0 | nM | 6.22 | Inhibition of cell proliferation of human Jurkat cells incubated for 72 hrs by A... | - |
| NON-PROTEIN TARGET | IC50 | = | 800.0 | nM | 6.1 | Inhibition of cell proliferation of human Calu6 cells incubated for 72 hrs by Al... | - |
Data from ChEMBL 36 via Core Engine