Compound Detail
CHEMBL1650071
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Basic Information
| ChEMBL ID | CHEMBL1650071 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLXPWNGYRVBLAY-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
3.50
ALogP
9
HBA
3
HBD
85.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.21 | 4.21 | 62000.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.06 | 4.06 | 87000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 590.0 | nM | 6.23 | Antiprotozoal activity against chloroquine and pyrimethamine-resistant erythrocy... | 21175162 |
| Trypanosoma brucei rhodesiense | IC50 | = | 730.0 | nM | 6.14 | Antiprotozoal activity against bloodstream forms of Trypanosoma brucei rhodesien... | 21175162 |
| L6 | IC50 | = | 40000.0 | nM | 4.4 | Cytotoxicity against rat L6 cells | 21175162 |
| Leishmania donovani | IC50 | = | 62000.0 | nM | 4.21 | Antiprotozoal activity against amastigotes of Leishmania donovani MHOM/ET/67/L82... | 21175162 |
| Trypanosoma cruzi | IC50 | = | 87000.0 | nM | 4.06 | Antiprotozoal activity against trypomastigote forms of Trypanosoma cruzi Tulahue... | 21175162 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21175162 | 10.1021/jm101335q | Trypanosoma brucei rhodesiense | 5 |
| 21175162 | 10.1021/jm101335q | Unchecked | 2 |
| 21175162 | 10.1021/jm101335q | Trypanosoma cruzi | 1 |
| 21175162 | 10.1021/jm101335q | Leishmania donovani | 1 |
| 21175162 | 10.1021/jm101335q | Plasmodium falciparum | 1 |
| 21175162 | 10.1021/jm101335q | L6 | 1 |
| 21175162 | 10.1021/jm101335q | ADMET | 1 |
Data from ChEMBL 36 via Core Engine