Compound Detail
CHEMBL16869
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Basic Information
| ChEMBL ID | CHEMBL16869 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSPDOMRVDCGUOD-JXMROGBWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
353.8
MW (Da)
4.80
ALogP
4
HBA
0
HBD
48.4
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.0 | 5.945 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1000.0 | nM | 6.0 | In vitro antimalarial activity against chloroquine-resistant Plasmodium falcipar... | 8544179 |
| Plasmodium falciparum | IC50 | = | 1290.0 | nM | 5.89 | In vitro antimalarial activity against chloroquine-sensitive Plasmodium falcipar... | 8544179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871729 | 10.1016/s0960-894x(98)00179-6 | Mus musculus | 4 |
| 9871729 | 10.1016/s0960-894x(98)00179-6 | Homo sapiens | 2 |
| 8544179 | 10.1021/jm00026a010 | Plasmodium falciparum | 2 |
| 9871729 | 10.1016/s0960-894x(98)00179-6 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 9871729 | 10.1016/s0960-894x(98)00179-6 | Prostaglandin G/H synthase 2 | 1 |
| 8544179 | 10.1021/jm00026a010 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine