Compound Detail
CHEMBL236089
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Basic Information
| ChEMBL ID | CHEMBL236089 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OACHIQATVCITPG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
4.21
ALogP
4
HBA
0
HBD
42.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
| Toxoplasma gondii CHEMBL612888 | IC50 | 4.8 | 4.8 | 15800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 4300.0 | nM | 5.37 | Antiparasitic activity against Trypanosoma cruzi Y amastigotes infected gamma ir... | 17643987 |
| Toxoplasma gondii | IC50 | = | 15800.0 | nM | 4.8 | Antiparasitic activity against Toxoplasma gondii tachyzoites m2m3 infected HFF c... | 17643987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17643987 | 10.1016/j.bmcl.2007.07.012 | Trypanosoma cruzi | 2 |
| 17643987 | 10.1016/j.bmcl.2007.07.012 | Toxoplasma gondii | 1 |
Data from ChEMBL 36 via Core Engine