Compound Detail
CHEMBL3800393
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Basic Information
| ChEMBL ID | CHEMBL3800393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOEXUQYOCVCFDP-IWXIMVSXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
-0.32
ALogP
10
HBA
3
HBD
129.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.01 | 5.01 | 9690.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 9690.0 | nM | 5.01 | Antimalarial activity against erythrocytic stage of Plasmodium falciparum K1 aft... | 27156774 |
| L6 | IC50 | = | 24000.0 | nM | 4.62 | Cytotoxicity against rat L6 cells | 27156774 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27156774 | 10.1016/j.bmcl.2016.04.053 | Plasmodium falciparum | 1 |
| 27156774 | 10.1016/j.bmcl.2016.04.053 | L6 | 1 |
| 27156774 | 10.1016/j.bmcl.2016.04.053 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine