Compound Detail
CHEMBL3238535
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Basic Information
| ChEMBL ID | CHEMBL3238535 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWNZWDIFDUQEEC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
207.2
MW (Da)
3.00
ALogP
2
HBA
0
HBD
29.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.88 | 5.88 | 1327.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1327.0 | nM | 5.88 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum FcB1... | 24686013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28011425 | 10.1016/j.ejmech.2016.12.029 | Indoleamine 2,3-dioxygenase 1 | 3 |
| 24686013 | 10.1016/j.ejmech.2014.03.059 | Plasmodium falciparum | 1 |
| 24686013 | 10.1016/j.ejmech.2014.03.059 | MCF7 | 1 |
| 24686013 | 10.1016/j.ejmech.2014.03.059 | Unchecked | 1 |
| 28011425 | 10.1016/j.ejmech.2016.12.029 | LLTC cell line | 1 |
Data from ChEMBL 36 via Core Engine