Compound Detail
CHEMBL2435444
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Basic Information
| ChEMBL ID | CHEMBL2435444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKTBRJMYHRKCFT-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
4.43
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.7 | 7.64 | 20.0 | 2 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.21 | 5.21 | 6180.0 | 1 |
| Leishmania tarentolae CHEMBL612915 | IC50 | 4.91 | 4.91 | 12400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 20.0 | nM | 7.7 | Antiprotozoal activity against chloroquine/pyrimethamine-resistant erythrocytic ... | 23968432 |
| Plasmodium falciparum | IC50 | = | 26.0 | nM | 7.58 | Antiprotozoal activity against Chloroquine-resistant Plasmodium falciparum K1 as... | 33901399 |
| Trypanosoma brucei rhodesiense | IC50 | = | 6180.0 | nM | 5.21 | Antiprotozoal activity against trypomastigote form of Trypanosoma brucei rhodesi... | 23968432 |
| Leishmania tarentolae | IC50 | = | 12400.0 | nM | 4.91 | Antiprotozoal activity against promastigote form of Leishmania tarentolae P10 as... | 23968432 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23968432 | 10.1021/jm401007p | Plasmodium falciparum | 2 |
| 23968432 | 10.1021/jm401007p | Unchecked | 2 |
| 33901399 | 10.1021/acs.jmedchem.1c00483 | Plasmodium falciparum | 2 |
| 23968432 | 10.1021/jm401007p | Leishmania tarentolae | 1 |
| 23968432 | 10.1021/jm401007p | Leishmania donovani | 1 |
| 23968432 | 10.1021/jm401007p | Trypanosoma cruzi | 1 |
| 23968432 | 10.1021/jm401007p | Trypanosoma brucei rhodesiense | 1 |
| 23968432 | 10.1021/jm401007p | L6 | 1 |
Data from ChEMBL 36 via Core Engine