Compound Detail
CHEMBL1946740
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Basic Information
| ChEMBL ID | CHEMBL1946740 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHNOSDQVFGLDJT-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
402.9
MW (Da)
5.80
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| MRC5 CHEMBL614181 | IC50 | 5.14 | 5.14 | 7200.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 4.9 | 4.9 | 12700.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.49 | 4.49 | 32400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 480.0 | nM | 6.32 | Antiparasitic activity against nifurtimox-sensitive amastigote stage of Trypanos... | 26922226 |
| Plasmodium falciparum | IC50 | = | 1900.0 | nM | 5.72 | Antiparasitic activity against chloroquine-resistant erythrocytic stage of Plasm... | 26922226 |
| MRC5 | IC50 | = | 7200.0 | nM | 5.14 | Cytotoxicity against human MRC5 cells assessed as cell viability after 4 to 7 da... | 26922226 |
| Leishmania infantum | IC50 | = | 12700.0 | nM | 4.9 | Antiparasitic activity against amastigote stage of Leishmania infantum MHOM/MA-B... | 26922226 |
| Trypanosoma brucei rhodesiense | IC50 | = | 32400.0 | nM | 4.49 | Antiparasitic activity against suramin-sensitive trypomastigote stage of Trypano... | 26922226 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22321993 | 10.1016/j.ejmech.2012.01.034 | Candida albicans | 7 |
| 22321993 | 10.1016/j.ejmech.2012.01.034 | Pichia kudriavzevii | 4 |
| 22321993 | 10.1016/j.ejmech.2012.01.034 | Candida | 3 |
| 22321993 | 10.1016/j.ejmech.2012.01.034 | Candida parapsilosis | 3 |
| 22321993 | 10.1016/j.ejmech.2012.01.034 | Candida tropicalis | 3 |
| 22321993 | 10.1016/j.ejmech.2012.01.034 | Nakaseomyces glabratus | 2 |
| 22321993 | 10.1016/j.ejmech.2012.01.034 | U-937 | 1 |
| 22321993 | 10.1016/j.ejmech.2012.01.034 | Unchecked | 1 |
| 26922226 | 10.1016/j.ejmech.2016.02.028 | Trypanosoma cruzi | 1 |
| 26922226 | 10.1016/j.ejmech.2016.02.028 | Leishmania infantum | 1 |
| 26922226 | 10.1016/j.ejmech.2016.02.028 | Trypanosoma brucei rhodesiense | 1 |
| 26922226 | 10.1016/j.ejmech.2016.02.028 | Plasmodium falciparum | 1 |
| 26922226 | 10.1016/j.ejmech.2016.02.028 | MRC5 | 1 |
| 26922226 | 10.1016/j.ejmech.2016.02.028 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine