Compound Detail
CHEMBL138184
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Basic Information
| ChEMBL ID | CHEMBL138184 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDCOXBRRMMKHQS-XBXARRHUSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
337.2
MW (Da)
4.91
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.11 | 5.546 | 770.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 770.0 | nM | 6.11 | In vitro antimalarial activity against chloroquine-sensitive Plasmodium falcipar... | 8544179 |
| Plasmodium falciparum | IC50 | = | 900.0 | nM | 6.05 | In vitro antimalarial activity against chloroquine-resistant Plasmodium falcipar... | 8544179 |
| Plasmodium falciparum | IC50 | = | 3801.89 | nM | 5.42 | Inhibition of Plasmodium falciparum W2 | - |
| Plasmodium falciparum | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of Plasmodium falciparum W2 | - |
| Plasmodium falciparum | IC50 | = | 18800.0 | nM | 4.73 | Inhibition of [3H]hypoxanthine incorporation in Plasmodium falciparum K1 | 11728189 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8544179 | 10.1021/jm00026a010 | Plasmodium falciparum | 2 |
| - | 10.1007/s00044-011-9900-1 | Plasmodium falciparum | 2 |
| 8544179 | 10.1021/jm00026a010 | Unchecked | 1 |
| 11728189 | 10.1021/jm0101747 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine