Compound Detail
CHEMBL4065457
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Basic Information
| ChEMBL ID | CHEMBL4065457 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVVCJCRUFSIVHI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
130.1
MW (Da)
1.05
ALogP
4
HBA
0
HBD
56.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | IC50 | 4.53 | 4.53 | 29571.0 | 1 |
| Trichomonas vaginalis CHEMBL612884 | IC50 | 4.28 | 4.28 | 52859.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | IC50 | = | 29571.0 | nM | 4.53 | Antiprotozoal activity against Giardia intestinalis IMSS:0696:1 (genotype A) tro... | 28645659 |
| Trichomonas vaginalis | IC50 | = | 52859.0 | nM | 4.28 | Antiprotozoal activity against Trichomonas vaginalis GT3 trophozoites incubated ... | 28645659 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28645659 | 10.1016/j.bmcl.2017.05.071 | Giardia intestinalis | 1 |
| 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 | Trypanosoma cruzi | 1 |
| 28645659 | 10.1016/j.bmcl.2017.05.071 | Vero | 1 |
Data from ChEMBL 36 via Core Engine