Compound Detail
CHEMBL480559
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Basic Information
| ChEMBL ID | CHEMBL480559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBBPVUFZZPBQLX-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
375.3
MW (Da)
3.38
ALogP
7
HBA
0
HBD
79.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.44 | 4.44 | 36000.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.36 | 4.36 | 44000.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 4.26 | 4.26 | 55000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 1100.0 | nM | 5.96 | Antitrypanosomal activity against Trypanosoma cruzi | 29191556 |
| Trypanosoma brucei rhodesiense | IC50 | = | 36000.0 | nM | 4.44 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense | 29191556 |
| Trypanosoma brucei brucei | IC50 | = | 44000.0 | nM | 4.36 | Antitrypanosomal activity against Trypanosoma brucei brucei 427 bloodstream form... | 29191556 |
| Leishmania infantum | IC50 | = | 55000.0 | nM | 4.26 | 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 |
Data from ChEMBL 36 via Core Engine