Compound Detail
CHEMBL4177472
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Basic Information
| ChEMBL ID | CHEMBL4177472 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAQFBRZZKZYYDT-QUMQEAAQSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
403.3
MW (Da)
6.23
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.57
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.43
EC50 1 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania amazonensis CHEMBL612877 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.58 | 4.58 | 26200.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | EC50 | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania amazonensis | IC50 | = | 3700.0 | nM | 5.43 | Antiparasitic activity against promastigote form of Leishmania amazonensis MHOM/... | 29920454 |
| Trypanosoma cruzi | IC50 | = | 26200.0 | nM | 4.58 | Antiparasitic activity against epimastigote form of Trypanosoma cruzi Y assessed... | 29920454 |
| Trypanosoma cruzi | EC50 | = | 35000.0 | nM | 4.46 | Antiparasitic activity against trypomastigote form of Trypanosoma cruzi assessed... | 29920454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29920454 | 10.1016/j.ejmech.2018.06.031 | Unchecked | 3 |
| 29920454 | 10.1016/j.ejmech.2018.06.031 | Trypanosoma cruzi | 2 |
| 29920454 | 10.1016/j.ejmech.2018.06.031 | Leishmania amazonensis | 1 |
| 29920454 | 10.1016/j.ejmech.2018.06.031 | Vero | 1 |
Data from ChEMBL 36 via Core Engine