Compound Detail
CHEMBL1652416
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Basic Information
| ChEMBL ID | CHEMBL1652416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNQOLWZDRHCFQW-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
194.2
MW (Da)
0.54
ALogP
4
HBA
0
HBD
53.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
| Trypanothione reductase CHEMBL5131 | IC50 | 4.28 | 4.28 | 52000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 900.0 | nM | 6.05 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 bloodst... | 19364854 |
| Plasmodium falciparum | IC50 | = | 3000.0 | nM | 5.52 | Antiplasmodial activity against Plasmodium falciparum 3D7 erythrocytic stage | 19364854 |
| Trypanosoma cruzi | IC50 | = | 19000.0 | nM | 4.72 | Antiprotozoal activity against Trypanosoma cruzi Tulahuen C2C4 amastigotes | 19364854 |
| Trypanothione reductase | IC50 | = | 52000.0 | nM | 4.28 | Inhibition of Trypanosoma cruzi X10/1 trypanothione reductase assessed as inhibi... | 19364854 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19364854 | 10.1128/aac.01568-08 | Trypanothione reductase | 1 |
| 19364854 | 10.1128/aac.01568-08 | Plasmodium falciparum | 1 |
| 19364854 | 10.1128/aac.01568-08 | Leishmania donovani | 1 |
| 19364854 | 10.1128/aac.01568-08 | Trypanosoma cruzi | 1 |
| 19364854 | 10.1128/aac.01568-08 | Trypanosoma brucei rhodesiense | 1 |
| 19364854 | 10.1128/aac.01568-08 | L6 | 1 |
| - | 10.6019/CHEMBL2094269 | Trypanosoma brucei brucei | 1 |
Data from ChEMBL 36 via Core Engine