Compound Detail
CHEMBL424711
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Basic Information
| ChEMBL ID | CHEMBL424711 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APHCSYAFBQWRCT-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
3.73
ALogP
2
HBA
4
HBD
99.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| L6 CHEMBL614793 | IC50 | 5.19 | 5.19 | 6400.0 | 2 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.0 | 4.735 | 9900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 340.0 | nM | 6.47 | Antileishmanial activity against Leishmania donovani axenic amastigotes | 18006310 |
| Plasmodium falciparum | IC50 | = | 1000.0 | nM | 6.0 | Antiprotozoal activity against Plasmodium falciparum K1 | 16913722 |
| Trypanosoma brucei rhodesiense | IC50 | = | 2000.0 | nM | 5.7 | Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900 | 16913722 |
| L6 | IC50 | = | 6400.0 | nM | 5.19 | Cytotoxicity against rat L6 cells | 16913722 |
| L6 | IC50 | = | 6400.0 | nM | 5.19 | Cytotoxicity against rat L6 cells | 18006310 |
| Glutamate NMDA receptor | IC50 | = | 9900.0 | nM | 5.0 | Displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor by beta co... | 26117647 |
| Glutamate NMDA receptor | IC50 | = | 34200.0 | nM | 4.47 | Displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor by beta co... | 26117647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26117647 | 10.1016/j.bmc.2015.06.012 | Glutamate NMDA receptor | 4 |
| 16913722 | 10.1021/jm060470p | Mus musculus | 2 |
| 16913722 | 10.1021/jm060470p | L6 | 1 |
| 16913722 | 10.1021/jm060470p | Plasmodium falciparum | 1 |
| 16913722 | 10.1021/jm060470p | Trypanosoma brucei rhodesiense | 1 |
| 18006310 | 10.1016/j.bmcl.2007.11.013 | Unchecked | 1 |
| 18006310 | 10.1016/j.bmcl.2007.11.013 | Leishmania donovani | 1 |
| 18006310 | 10.1016/j.bmcl.2007.11.013 | L6 | 1 |
Data from ChEMBL 36 via Core Engine