Compound Detail
CHEMBL1779947
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Basic Information
| ChEMBL ID | CHEMBL1779947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQUAHBDDCLYOOF-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
3.38
ALogP
7
HBA
1
HBD
111.4
PSA (Ų)
0.33
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | IC50 | 6.53 | 6.53 | 297.0 | 1 |
| Trichomonas vaginalis CHEMBL612884 | IC50 | 6.08 | 6.08 | 842.0 | 1 |
| Leishmania mexicana CHEMBL612880 | IC50 | 5.87 | 5.87 | 1350.0 | 1 |
| Plasmodium berghei CHEMBL612653 | IC50 | 5.62 | 5.62 | 2420.0 | 1 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 5.45 | 5.45 | 3515.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.31 | 5.31 | 4890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | IC50 | = | 297.0 | nM | 6.53 | Antiprotozoan activity against Giardia intestinalis IMSS:0696:1 trophozoites aft... | 21397502 |
| Trichomonas vaginalis | IC50 | = | 842.0 | nM | 6.08 | Antiprotozoan activity against Trichomonas vaginalis GT3 trophozoites after 48 h... | 21397502 |
| Leishmania mexicana | IC50 | = | 1350.0 | nM | 5.87 | Antileishmanial activity against Leishmania mexicana MHOM/MX/ISETGS promastigote... | 21397502 |
| Plasmodium berghei | IC50 | = | 2420.0 | nM | 5.62 | Antimalarial activity against Plasmodium berghei schizonts isolated from parasit... | 21397502 |
| Entamoeba histolytica | IC50 | = | 3515.0 | nM | 5.45 | Antiprotozoan activity against Entamoeba histolytica HM1-IMSS trophozoites after... | 21397502 |
| Trypanosoma cruzi | IC50 | = | 4890.0 | nM | 5.31 | Antitrypanosomal activity against Trypanosoma cruzi MHOM/MX/1994/Ninoa epimastig... | 21397502 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21397502 | 10.1016/j.bmcl.2011.02.100 | Unchecked | 6 |
| 21397502 | 10.1016/j.bmcl.2011.02.100 | Entamoeba histolytica | 2 |
| 21397502 | 10.1016/j.bmcl.2011.02.100 | Trypanosoma cruzi | 2 |
| 21397502 | 10.1016/j.bmcl.2011.02.100 | Giardia intestinalis | 1 |
| 21397502 | 10.1016/j.bmcl.2011.02.100 | Trichomonas vaginalis | 1 |
| 21397502 | 10.1016/j.bmcl.2011.02.100 | Leishmania mexicana | 1 |
| 21397502 | 10.1016/j.bmcl.2011.02.100 | Plasmodium berghei | 1 |
| 21397502 | 10.1016/j.bmcl.2011.02.100 | Vero | 1 |
Data from ChEMBL 36 via Core Engine