Compound Detail
CHEMBL4867967
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Basic Information
| ChEMBL ID | CHEMBL4867967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQUBEHACPHLZIU-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
3.45
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.21 | 5.04 | 6100.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 4.14 | 4.14 | 72200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 6100.0 | nM | 5.21 | Antitrypanosomal activity against Trypanosoma cruzi amastigotes infected in BSR ... | 34182359 |
| Trypanosoma cruzi | IC50 | = | 7400.0 | nM | 5.13 | Antiprotozoal activity against Trypanosoma cruzi epimastigotes assessed as inhib... | 34182359 |
| Trypanosoma cruzi | IC50 | = | 16600.0 | nM | 4.78 | Antitrypanosomal activity against Trypanosoma cruzi trypomastigotes assessed as ... | 34182359 |
| Unchecked | IC50 | = | 72200.0 | nM | 4.14 | Cytotoxicity against golden hamster BSR cells assessed as reduction in cell viab... | 34182359 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34182359 | 10.1016/j.ejmech.2021.113646 | Trypanosoma cruzi | 5 |
| 34182359 | 10.1016/j.ejmech.2021.113646 | ADMET | 3 |
| 34182359 | 10.1016/j.ejmech.2021.113646 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine