Compound Detail
CHEMBL4169962
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Basic Information
| ChEMBL ID | CHEMBL4169962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJJQKAXKENCGGJ-HBKJEHTGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
338.8
MW (Da)
5.57
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.68
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania amazonensis CHEMBL612877 | IC50 | 4.75 | 4.75 | 17800.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.67 | 4.67 | 21600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania amazonensis | IC50 | = | 17800.0 | nM | 4.75 | Antiparasitic activity against promastigote form of Leishmania amazonensis MHOM/... | 29920454 |
| Trypanosoma cruzi | IC50 | = | 21600.0 | nM | 4.67 | Antiparasitic activity against epimastigote form of Trypanosoma cruzi Y assessed... | 29920454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29920454 | 10.1016/j.ejmech.2018.06.031 | Trypanosoma cruzi | 2 |
| 29920454 | 10.1016/j.ejmech.2018.06.031 | Unchecked | 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