Compound Detail
CHEMBL2322218
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Basic Information
| ChEMBL ID | CHEMBL2322218 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBAQHUBSHDUEQO-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
5.46
ALogP
4
HBA
3
HBD
71.0
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.03 | 7.85 | 9.4 | 2 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.22 | 6.22 | 606.8 | 1 |
| L6 CHEMBL614793 | IC50 | 5.91 | 5.91 | 1244.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.97 | 4.97 | 10602.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.01 | 4.01 | 97518.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 9.4 | nM | 8.03 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 aft... | 23360309 |
| Plasmodium falciparum | IC50 | = | 21.3 | nM | 7.67 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum NF54 a... | 23360309 |
| Trypanosoma brucei rhodesiense | IC50 | = | 606.8 | nM | 6.22 | Antiparasitic activity against Trypanosoma brucei rhodesiense STIB900 bloodstrea... | 23360309 |
| L6 | IC50 | = | 1244.0 | nM | 5.91 | Toxicity against rat L6 cells after 72 hrs by Alamar blue assay | 23360309 |
| Trypanosoma cruzi | IC50 | = | 10602.0 | nM | 4.97 | Antiparasitic activity against Trypanosoma cruzi Tulahuen C2C4 expressing beta-g... | 23360309 |
| Leishmania donovani | IC50 | = | 97518.0 | nM | 4.01 | Antiparasitic activity against Leishmania donovani MHOM/ET/67/L82 axenic amastig... | 23360309 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23360309 | 10.1021/jm300887b | Plasmodium falciparum | 3 |
| 23360309 | 10.1021/jm300887b | Unchecked | 2 |
| 23360309 | 10.1021/jm300887b | Mus musculus | 1 |
| 23360309 | 10.1021/jm300887b | Plasmodium berghei | 1 |
| 23360309 | 10.1021/jm300887b | Leishmania donovani | 1 |
| 23360309 | 10.1021/jm300887b | Trypanosoma cruzi | 1 |
| 23360309 | 10.1021/jm300887b | Trypanosoma brucei rhodesiense | 1 |
| 23360309 | 10.1021/jm300887b | L6 | 1 |
| 23685569 | 10.1016/j.ejmech.2013.03.072 | Plasmodium berghei | 1 |
Data from ChEMBL 36 via Core Engine