Compound Detail
CHEMBL5185578
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COc1ccc(S(=O)(=O)Nc2ccc(CN3CCN(C(=O)c4ccc(OC)c(Cl)c4)CC3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL5185578 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBGOIBYNVKCMIN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
530.0
MW (Da)
4.12
ALogP
6
HBA
1
HBD
88.2
PSA (Ų)
0.47
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | EC50 | 5.5 | 5.5 | 3162.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 50.0 | mL.min-1.g-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | EC50 | = | 3162.28 | nM | 5.5 | Antitrypanosomal activity against intracellularTrypanosoma cruzi amastigote | 35594652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35594652 | 10.1016/j.ejmech.2022.114421 | Trypanosoma cruzi | 1 |
| 35594652 | 10.1016/j.ejmech.2022.114421 | ADMET | 1 |
| 35594652 | 10.1016/j.ejmech.2022.114421 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine