Compound Detail
CHEMBL3134090
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Basic Information
| ChEMBL ID | CHEMBL3134090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSJHAKLEQLNZNQ-GYHWCHFESA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
4.62
ALogP
5
HBA
3
HBD
90.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 6.84 | 6.63 | 143.0 | 4 |
| Trypanosoma brucei CHEMBL612849 | EC50 | 5.75 | 5.75 | 1790.0 | 1 |
| Leishmania major CHEMBL612879 | EC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 143.0 | nM | 6.84 | Antiprotozoal activity against chloroquine-resistant Plasmodium falciparum C2B a... | 24910766 |
| Plasmodium falciparum | EC50 | = | 233.0 | nM | 6.63 | Antiprotozoal activity against Plasmodium falciparum D6 assessed as growth inhib... | 24910766 |
| Plasmodium falciparum | EC50 | = | 255.0 | nM | 6.59 | Antiprotozoal activity against chloroquine/mefloquine/pyrimethamine-resistant Pl... | 24910766 |
| Plasmodium falciparum | EC50 | = | 347.0 | nM | 6.46 | Antiprotozoal activity against chloroquine-resistant Plasmodium falciparum W2 as... | 24910766 |
| Trypanosoma brucei | EC50 | = | 1790.0 | nM | 5.75 | Antiprotozoal activity against Trypanosoma brucei 427 assessed as growth inhibit... | 24910766 |
| Leishmania major | EC50 | = | 2800.0 | nM | 5.55 | Antiprotozoal activity against promastigote stage of Leishmania major assessed a... | 24910766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24910766 | 10.1039/c4md00045e | Plasmodium falciparum | 4 |
| 24910766 | 10.1039/c4md00045e | Leishmania major | 2 |
| 24910766 | 10.1039/c4md00045e | HepG2 | 1 |
| 24910766 | 10.1039/c4md00045e | Trypanosoma brucei | 1 |
Data from ChEMBL 36 via Core Engine