Compound Detail
CHEMBL1765791
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Basic Information
| ChEMBL ID | CHEMBL1765791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PIQCUQKVCKNFCL-IZZDOVSWSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
194.3
MW (Da)
0.51
ALogP
3
HBA
2
HBD
49.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.69 | 5.47 | 2040.0 | 2 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 4.86 | 4.86 | 13850.0 | 1 |
| DNA topoisomerase 2-alpha CHEMBL1806 | IC50 | 4.12 | 4.12 | 76000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 2040.0 | nM | 5.69 | Antitrypanosomal activity against Trypanosoma cruzi Y trypomastigotes infected i... | 37062170 |
| Trypanosoma cruzi | IC50 | = | 5660.0 | nM | 5.25 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen amastigotes infecte... | 37062170 |
| Leishmania amazonensis | IC50 | = | 13850.0 | nM | 4.86 | Antileishmanial activity against Leishmania amazonensis WHOM/00 LTB 0016 promast... | 37062170 |
| DNA topoisomerase 2-alpha | IC50 | = | 76000.0 | nM | 4.12 | Inhibition of human topoisomerase 2 alpha-mediated relaxation of supercoiled pHO... | 21391686 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37062170 | 10.1016/j.ejmech.2023.115310 | ADMET | 4 |
| 21391686 | 10.1021/jm101532u | DNA topoisomerase 2-alpha | 2 |
| 37062170 | 10.1016/j.ejmech.2023.115310 | Trypanosoma cruzi | 2 |
| 37062170 | 10.1016/j.ejmech.2023.115310 | Leishmania amazonensis | 2 |
| 21391686 | 10.1021/jm101532u | SK-BR-3 | 1 |
| 37062170 | 10.1016/j.ejmech.2023.115310 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine