Compound Detail
CHEMBL2435437
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Basic Information
| ChEMBL ID | CHEMBL2435437 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIKBEQTUAIDKPB-UHFFFAOYSA-N |
6
Targets
8
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
287.4
MW (Da)
4.04
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.79
Ki 2 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.72 | 7.72 | 19.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.42 | 6.42 | 378.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.79 | 4.79 | 16400.0 | 1 |
| Leishmania tarentolae CHEMBL612915 | IC50 | 4.73 | 4.73 | 18600.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.39 | 4.39 | 41100.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.17 | 4.17 | 68200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 19.0 | nM | 7.72 | Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex ... | 24996139 |
| Unchecked | Ki | = | 378.0 | nM | 6.42 | Displacement of (+)-DTG from sigma2 receptor in rat liver membrane by scintillat... | 24996139 |
| Plasmodium falciparum | IC50 | = | 16400.0 | nM | 4.79 | Antiprotozoal activity against chloroquine/pyrimethamine-resistant erythrocytic ... | 23968432 |
| Leishmania tarentolae | IC50 | = | 18600.0 | nM | 4.73 | Antiprotozoal activity against promastigote form of Leishmania tarentolae P10 as... | 23968432 |
| Trypanosoma brucei rhodesiense | IC50 | = | 41100.0 | nM | 4.39 | Antiprotozoal activity against trypomastigote form of Trypanosoma brucei rhodesi... | 23968432 |
| Trypanosoma cruzi | IC50 | = | 68200.0 | nM | 4.17 | Antiprotozoal activity against intracellular amastigote form of Trypanosoma cruz... | 23968432 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23968432 | 10.1021/jm401007p | Unchecked | 3 |
| 24996139 | 10.1016/j.ejmech.2014.06.054 | Unchecked | 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 | Plasmodium falciparum | 1 |
| 23968432 | 10.1021/jm401007p | L6 | 1 |
| 24996139 | 10.1016/j.ejmech.2014.06.054 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine