Compound Detail
CHEMBL447705
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1ccc(C(=N)Nc2ccc(-c3ccc(-c4ccc(NC(=N)c5ccc(C)cn5)cc4OC(C)C)o3)c(OC(C)C)c2)nc1
Basic Information
| ChEMBL ID | CHEMBL447705 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZALKUFOOXWBXGO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
602.7
MW (Da)
8.47
ALogP
7
HBA
4
HBD
129.1
PSA (Ų)
0.09
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 7.82 | 6.88 | 15.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 15.0 | nM | 7.82 | Antitrypanosomal activity against Trypanosoma cruzi Y bloodstream trypomastigote... | 17698624 |
| Trypanosoma cruzi | IC50 | = | 1140.0 | nM | 5.94 | Antitrypanosomal activity against Trypanosoma cruzi Y amastigotes after 24 hrs b... | 17698624 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17698624 | 10.1128/aac.00047-07 | Trypanosoma cruzi | 7 |
Data from ChEMBL 36 via Core Engine