Compound Detail
CHEMBL4516458
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CCOC(=O)N1CCN(c2ccc(S(=O)(=O)NCc3ccc(C(=O)Nc4cccnc4)cc3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL4516458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQCVVJYGTPCKQQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
523.6
MW (Da)
3.09
ALogP
7
HBA
2
HBD
120.9
PSA (Ų)
0.47
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.34 | 4.34 | 46000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 46000.0 | nM | 4.34 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen C4 trypomastigotes ... | 31706668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31706668 | 10.1016/j.bmcl.2019.126778 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine