Compound Detail
CHEMBL488491
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O=C(Nc1cccn([C@H](/C=C/S(=O)(=O)c2ccccc2)Cc2ccccc2)c1=O)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL488491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFEJEUUBSRSHJQ-MHOQICJOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
514.6
MW (Da)
5.37
ALogP
6
HBA
1
HBD
94.5
PSA (Ų)
0.32
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.45 | 4.445 | 35700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 35700.0 | nM | 4.45 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 in... | 18554905 |
| Plasmodium falciparum | IC50 | = | 36000.0 | nM | 4.44 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum TM6 in... | 18554905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18554905 | 10.1016/j.bmcl.2008.05.068 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine