Compound Detail
CHEMBL222709
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Basic Information
| ChEMBL ID | CHEMBL222709 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAOCXHQUKAUQNJ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
384.4
MW (Da)
3.15
ALogP
5
HBA
4
HBD
115.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.46
IC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 4.46 | 4.44 | 35100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 300.0 | nM | 6.52 | Antileishmanial activity against Leishmania donovani promastigotes after 72 hrs ... | 15588096 |
| Plasmodium falciparum | EC50 | = | 35100.0 | nM | 4.46 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D6 a... | 15588096 |
| Plasmodium falciparum | EC50 | = | 37700.0 | nM | 4.42 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 a... | 15588096 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15588096 | 10.1021/jm0493717 | Plasmodium falciparum | 2 |
| 15588096 | 10.1021/jm0493717 | Falcipain 2 | 1 |
| 15588096 | 10.1021/jm0493717 | Cysteine protease falcipain-3 | 1 |
| 15588096 | 10.1021/jm0493717 | Vero | 1 |
| 15588096 | 10.1021/jm0493717 | Cysteine protease | 1 |
| 15588096 | 10.1021/jm0493717 | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine