Compound Detail
CHEMBL3797714
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CS[C@H]1O[C@@H](n2cnc3c(/N=C/N(C)C)nc(F)nc32)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL3797714 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEPXIHQDSQLQKS-GBBZYEOESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
0.13
ALogP
9
HBA
2
HBD
108.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L6 CHEMBL614793 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.66 | 5.66 | 2180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L6 | IC50 | = | 1500.0 | nM | 5.82 | Cytotoxicity against rat L6 cells | 27156774 |
| Plasmodium falciparum | IC50 | = | 2180.0 | nM | 5.66 | Antimalarial activity against erythrocytic stage of Plasmodium falciparum K1 aft... | 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