Compound Detail
CHEMBL3884268
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Basic Information
| ChEMBL ID | CHEMBL3884268 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSFRIZALCDCTLN-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
4.00
ALogP
5
HBA
5
HBD
116.4
PSA (Ų)
0.26
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| Plasmodium berghei CHEMBL612653 | IC50 | 5.73 | 5.73 | 1873.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 310.0 | nM | 6.51 | Growth inhibition of human MCF7 cells after 72 hrs by MTT assay | 27614409 |
| Plasmodium berghei | IC50 | = | 1873.0 | nM | 5.73 | Antimalarial activity against liver stage of firefly luciferase-expressing Plasm... | 29220797 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27614409 | 10.1016/j.ejmech.2016.08.021 | NON-PROTEIN TARGET | 8 |
| 27614409 | 10.1016/j.ejmech.2016.08.021 | MCF7 | 5 |
| 27614409 | 10.1016/j.ejmech.2016.08.021 | No relevant target | 3 |
| 27614409 | 10.1016/j.ejmech.2016.08.021 | Molecular identity unknown | 2 |
| 27614409 | 10.1016/j.ejmech.2016.08.021 | Unchecked | 1 |
| 29220797 | 10.1016/j.ejmech.2017.11.083 | Plasmodium berghei | 1 |
Data from ChEMBL 36 via Core Engine