Compound Detail
CHEMBL480728
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Basic Information
| ChEMBL ID | CHEMBL480728 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSJDPPOQULNBLA-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
4.06
ALogP
7
HBA
0
HBD
79.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.31 | 6.18 | 490.0 | 2 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 4.35 | 4.35 | 45000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 490.0 | nM | 6.31 | Antitrypanosomal activity against Trypanosoma cruzi | 29191556 |
| Trypanosoma cruzi | IC50 | = | 900.0 | nM | 6.05 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen strain C2C4 amastig... | 33007723 |
| Trypanosoma brucei rhodesiense | IC50 | = | 1200.0 | nM | 5.92 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense | 29191556 |
| Trypanosoma brucei brucei | IC50 | = | 1400.0 | nM | 5.85 | Antitrypanosomal activity against Trypanosoma brucei brucei 427 bloodstream form... | 29191556 |
| Leishmania infantum | IC50 | = | 45000.0 | nM | 4.35 | Antiparasitic activity against Leishmania infantum | 29191556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19099398 | 10.1021/jm801087e | Mycobacterium tuberculosis | 2 |
| 19099398 | 10.1021/jm801087e | Vero | 1 |
| 29191556 | 10.1016/j.bmcl.2017.10.067 | Trypanosoma brucei brucei | 1 |
| 29191556 | 10.1016/j.bmcl.2017.10.067 | Trypanosoma brucei rhodesiense | 1 |
| 29191556 | 10.1016/j.bmcl.2017.10.067 | Trypanosoma cruzi | 1 |
| 29191556 | 10.1016/j.bmcl.2017.10.067 | Leishmania infantum | 1 |
| 29191556 | 10.1016/j.bmcl.2017.10.067 | MRC5 | 1 |
| 33007723 | 10.1016/j.ejmech.2020.112849 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine