Compound Detail
CHEMBL165542
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Basic Information
| ChEMBL ID | CHEMBL165542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHNLSPPEMSHVID-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
3.65
ALogP
3
HBA
4
HBD
99.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.86 | 7.86 | 13.8 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.17 | 4.96 | 6680.0 | 2 |
| L6 CHEMBL614793 | IC50 | 4.29 | 4.29 | 51700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 3.0 | nM | 8.52 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 | 20403703 |
| Plasmodium falciparum | IC50 | = | 13.8 | nM | 7.86 | Antiplasmodial activity against Plasmodium falciparum K1 | 20403703 |
| Glutamate NMDA receptor | IC50 | = | 6680.0 | nM | 5.17 | Displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor by beta co... | 26117647 |
| Glutamate NMDA receptor | IC50 | = | 17700.0 | nM | 4.75 | Displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor by beta co... | 26117647 |
| L6 | IC50 | = | 51700.0 | nM | 4.29 | Cytotoxicity against rat L6 cells | 20403703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26117647 | 10.1016/j.bmc.2015.06.012 | Glutamate NMDA receptor | 4 |
| 20403703 | 10.1016/j.bmc.2010.03.058 | Trypanosoma brucei rhodesiense | 2 |
| 19635954 | 10.1128/aac.01709-08 | Bacillus anthracis | 2 |
| 6157024 | 10.1021/jm00181a016 | Gag-Pol polyprotein | 1 |
| 15509172 | 10.1021/jm049491e | Nucleic Acid | 1 |
| 20403703 | 10.1016/j.bmc.2010.03.058 | Nucleic Acid | 1 |
| 20403703 | 10.1016/j.bmc.2010.03.058 | Plasmodium falciparum | 1 |
| 20403703 | 10.1016/j.bmc.2010.03.058 | L6 | 1 |
| 30645099 | 10.1021/acs.jmedchem.8b01448 | HOXA9 DNA binding site | 1 |
Data from ChEMBL 36 via Core Engine