Compound Detail
CHEMBL596222
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Basic Information
| ChEMBL ID | CHEMBL596222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMFRFNCBVYLQJY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
220.2
MW (Da)
1.53
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| U-937 CHEMBL612794 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.5 | 4.5 | 31600.0 | 1 |
| C6 CHEMBL614657 | IC50 | 4.46 | 4.46 | 34600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U-937 | IC50 | = | 2200.0 | nM | 5.66 | Growth inhibition of human U937 cells assessed as [3H]5-methyl thymidine incorpo... | 19716307 |
| NON-PROTEIN TARGET | IC50 | = | 31600.0 | nM | 4.5 | Cytotoxicity against human U138MG cells incubated for 48 hrs by MTT assay | 23069682 |
| C6 | IC50 | = | 34600.0 | nM | 4.46 | Cytotoxicity against rat C6 cells incubated for 48 hrs by MTT assay | 23069682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23069682 | 10.1016/j.ejmech.2012.09.007 | C6 | 4 |
| 19716307 | 10.1016/j.bmc.2009.08.002 | U-937 | 2 |
| 23069682 | 10.1016/j.ejmech.2012.09.007 | NON-PROTEIN TARGET | 1 |
| 23069682 | 10.1016/j.ejmech.2012.09.007 | Hippocampus | 1 |
Data from ChEMBL 36 via Core Engine