Compound Detail
CHEMBL4100836
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4100836 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZFUEMHWFBHLKW-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
423.3
MW (Da)
5.28
ALogP
6
HBA
2
HBD
97.2
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | IC50 | 6.83 | 6.83 | 147.0 | 1 |
| Trichomonas vaginalis CHEMBL612884 | IC50 | 6.66 | 6.66 | 218.0 | 1 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 5.72 | 5.72 | 1890.0 | 1 |
| Leishmania mexicana CHEMBL612880 | IC50 | 5.21 | 5.21 | 6120.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.8 | 4.8 | 15670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | IC50 | = | 147.0 | nM | 6.83 | Antiprotozoal activity against Giardia intestinalis IMSS:0696:1 (genotype A) tro... | 28645659 |
| Trichomonas vaginalis | IC50 | = | 218.0 | nM | 6.66 | Antiprotozoal activity against Trichomonas vaginalis GT3 trophozoites incubated ... | 28645659 |
| Leishmania amazonensis | IC50 | = | 1890.0 | nM | 5.72 | Antiprotozoal activity against Leishmania amazonensis IFLA/BR/67/PH-8 incubated ... | 28645659 |
| Leishmania mexicana | IC50 | = | 6120.0 | nM | 5.21 | Antiprotozoal activity against Leishmania mexicana MHOM/MX/ISETGS incubated for ... | 28645659 |
| Trypanosoma cruzi | IC50 | = | 15670.0 | nM | 4.8 | Antiprotozoal activity against Trypanosoma cruzi MHOM/MX/1994/Ninoa incubated fo... | 28645659 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28645659 | 10.1016/j.bmcl.2017.05.071 | Giardia intestinalis | 3 |
| 28645659 | 10.1016/j.bmcl.2017.05.071 | Trypanosoma cruzi | 2 |
| 28645659 | 10.1016/j.bmcl.2017.05.071 | Trichomonas vaginalis | 1 |
| 28645659 | 10.1016/j.bmcl.2017.05.071 | Leishmania amazonensis | 1 |
| 28645659 | 10.1016/j.bmcl.2017.05.071 | Leishmania mexicana | 1 |
| 28645659 | 10.1016/j.bmcl.2017.05.071 | Vero | 1 |
Data from ChEMBL 36 via Core Engine