Compound Detail
CHEMBL4276974
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Basic Information
| ChEMBL ID | CHEMBL4276974 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AITGPXGBXXGAFL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
389.2
MW (Da)
2.75
ALogP
4
HBA
0
HBD
74.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trichomonas vaginalis CHEMBL612884 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Naegleria fowleri CHEMBL3301413 | IC50 | 4.55 | 4.55 | 28300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trichomonas vaginalis | IC50 | = | 15000.0 | nM | 4.82 | Antiparasitic activity against Trichomonas vaginalis assessed as parasite growth... | 29449910 |
| Naegleria fowleri | IC50 | = | 28300.0 | nM | 4.55 | Antiparasitic activity against Naegleria fowleri KUL trophozoites assessed as pa... | 29449910 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29449910 | 10.1039/C7MD00434F | Trichomonas vaginalis | 2 |
| 29449910 | 10.1039/C7MD00434F | Aspergillus parasiticus | 2 |
| 29449910 | 10.1039/C7MD00434F | Saccharomyces cerevisiae | 2 |
| 29449910 | 10.1039/C7MD00434F | Giardia intestinalis | 1 |
| 29449910 | 10.1039/C7MD00434F | Entamoeba histolytica | 1 |
| 29449910 | 10.1039/C7MD00434F | Naegleria fowleri | 1 |
| 29449910 | 10.1039/C7MD00434F | Limosilactobacillus reuteri | 1 |
| 29449910 | 10.1039/C7MD00434F | Lactobacillus acidophilus | 1 |
| 29449910 | 10.1039/C7MD00434F | Lacticaseibacillus rhamnosus | 1 |
| 29449910 | 10.1039/C7MD00434F | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine