Compound Detail
CHEMBL3234770
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Basic Information
| ChEMBL ID | CHEMBL3234770 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSOQWPOVGAAMDL-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
3.46
ALogP
8
HBA
3
HBD
118.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| L6 CHEMBL614793 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Heat shock protein HSP 90-alpha CHEMBL3880 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Giardia intestinalis CHEMBL612652 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.3 | 5.3 | 4965.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1.0 | nM | 9.0 | Antiplasmodial activity against Plasmodium falciparum assessed as growth inhibit... | 25547934 |
| Trypanosoma brucei rhodesiense | IC50 | = | 3.0 | nM | 8.52 | Antiplasmodial activity against Trypanosoma brucei rhodesiense assessed as growt... | 25547934 |
| L6 | IC50 | = | 11.0 | nM | 7.96 | Cytotoxicity against rat L6 cells | 25547934 |
| Heat shock protein HSP 90-alpha | IC50 | = | 23.0 | nM | 7.64 | Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 h... | 24588105 |
| NCI-H460 | IC50 | = | 28.0 | nM | 7.55 | Cytotoxicity against human NCI-H460 cells assessed as growth inhibition after 72... | 24588105 |
| Giardia intestinalis | IC50 | = | 400.0 | nM | 6.4 | Antiprotozoal activity against Giardia lamblia assessed as growth inhibition | 25547934 |
| Trypanosoma cruzi | IC50 | = | 4965.0 | nM | 5.3 | Antitrypanosomal activity against Trypanosoma cruzi assessed as growth inhibitio... | 25547934 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24588105 | 10.1021/jm401536b | Heat shock protein HSP 90-alpha | 1 |
| 24588105 | 10.1021/jm401536b | NCI-H460 | 1 |
| 25547934 | 10.1016/j.bmcl.2014.12.048 | Trypanosoma brucei rhodesiense | 1 |
| 25547934 | 10.1016/j.bmcl.2014.12.048 | Trypanosoma cruzi | 1 |
| 25547934 | 10.1016/j.bmcl.2014.12.048 | Plasmodium falciparum | 1 |
| 25547934 | 10.1016/j.bmcl.2014.12.048 | Giardia intestinalis | 1 |
| 25547934 | 10.1016/j.bmcl.2014.12.048 | L6 | 1 |
Data from ChEMBL 36 via Core Engine