Compound Detail
CHEMBL1095823
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CCc1ccc(C(OC)(c2ccc3c(c2)c(-c2cccc(Cl)c2)cc(=O)n3C)c2cncn2CC)cc1
Basic Information
| ChEMBL ID | CHEMBL1095823 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMZRUYVYBZSZOJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
512.0
MW (Da)
6.58
ALogP
5
HBA
0
HBD
49.0
PSA (Ų)
0.25
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | EC50 | = | 10.0 | nM | 8.0 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen amastigotes infecte... | 20429511 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20429511 | 10.1021/jm9013136 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine