Compound Detail
CHEMBL4853501
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Basic Information
| ChEMBL ID | CHEMBL4853501 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMWXOMKYVBEREM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
245.2
MW (Da)
2.06
ALogP
5
HBA
0
HBD
78.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.04 | 4.965 | 9100.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.03 | 4.03 | 93900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 9100.0 | nM | 5.04 | Antitrypanosomal activity against Trypanosoma cruzi amastigotes infected in BSR ... | 34182359 |
| Trypanosoma cruzi | IC50 | = | 12900.0 | nM | 4.89 | Antiprotozoal activity against Trypanosoma cruzi epimastigotes assessed as inhib... | 34182359 |
| Unchecked | IC50 | = | 93900.0 | nM | 4.03 | 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 | 3 |
| 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