Compound Detail
CHEMBL5192109
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CCCCC(CCCCCCC[n+]1ccn(C)c1)Oc1ccc(C(=O)/C=C/c2ccco2)cc1.[Br-]
Basic Information
| ChEMBL ID | CHEMBL5192109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZCHEQJBCJXBGJ-LTRPLHCISA-M |
| Parent Compound | CHEMBL5222214 |
| Active Moiety | CHEMBL5222214 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
463.6
MW (Da)
6.78
ALogP
4
HBA
0
HBD
48.2
PSA (Ų)
0.10
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | EC50 | 6.14 | 6.14 | 720.0 | 1 |
| Leishmania panamensis CHEMBL612882 | EC50 | 5.67 | 5.67 | 2120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | EC50 | = | 720.0 | nM | 6.14 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen intracellular amast... | 34171661 |
| Leishmania panamensis | EC50 | = | 2120.0 | nM | 5.67 | Antileishmanial activity against Leishmania panamensis MHOM/CO/87/UA140pIR-GFP i... | 34171661 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34171661 | 10.1016/j.ejmech.2021.113606 | Leishmania panamensis | 1 |
| 34171661 | 10.1016/j.ejmech.2021.113606 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine