Compound Detail
CHEMBL4789562
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Basic Information
| ChEMBL ID | CHEMBL4789562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTETXMOJWBQKRZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
290.3
MW (Da)
2.35
ALogP
6
HBA
1
HBD
99.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trichomonas vaginalis CHEMBL612884 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Giardia intestinalis CHEMBL612652 | IC50 | 6.3 | 6.155 | 500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trichomonas vaginalis | IC50 | = | 90.0 | nM | 7.05 | Anti-trichomonas activity against Trichomonas vaginalis GT3 incubated for 48 hrs | 33234343 |
| Giardia intestinalis | IC50 | = | 500.0 | nM | 6.3 | Antigiardial activity against Giardia intestinalis IMSS:0696:1 incubated for 48 ... | 32869995 |
| Giardia intestinalis | IC50 | = | 980.0 | nM | 6.01 | Antigiardial activity against Giardia intestinalis MSS:0696:1 incubated for 48 h... | 33234343 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33234343 | 10.1016/j.ejmech.2020.112994 | ADMET | 2 |
| 32869995 | 10.1021/acs.jmedchem.0c00910 | Giardia intestinalis | 1 |
| 33234343 | 10.1016/j.ejmech.2020.112994 | Giardia intestinalis | 1 |
| 33234343 | 10.1016/j.ejmech.2020.112994 | Trichomonas vaginalis | 1 |
| 33234343 | 10.1016/j.ejmech.2020.112994 | Vero | 1 |
Data from ChEMBL 36 via Core Engine