Compound Detail
CHEMBL4097609
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Basic Information
| ChEMBL ID | CHEMBL4097609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRIZOBCKUZLADQ-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
347.5
MW (Da)
4.04
ALogP
5
HBA
2
HBD
65.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Schistosoma mansoni CHEMBL612893 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.17 | 6.1133 | 670.0 | 3 |
| CHO CHEMBL613853 | IC50 | 5.42 | 5.42 | 3770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Schistosoma mansoni | IC50 | = | 200.0 | nM | 6.7 | Antischistosomal activity against adult Schistosoma mansoni measured up to 72 hr... | 33479649 |
| Plasmodium falciparum | IC50 | = | 670.0 | nM | 6.17 | Anti-plasmodial activity against chloroquine-sensitive Plasmodium falciparum NF5... | 28094524 |
| Plasmodium falciparum | IC50 | = | 820.0 | nM | 6.09 | Anti-plasmodial activity against multidrug resistant Plasmodium falciparum K1 by... | 28094524 |
| Plasmodium falciparum | IC50 | = | 830.0 | nM | 6.08 | Anti-plasmodial activity against chloroquine-sensitive Plasmodium falciparum NF5... | 28094524 |
| CHO | IC50 | = | 3770.0 | nM | 5.42 | Cytotoxicity against CHO cells after by MTT assay | 28094524 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28094524 | 10.1021/acs.jmedchem.6b01641 | Plasmodium falciparum | 4 |
| 33479649 | 10.1039/D0MD00062K | Schistosoma mansoni | 2 |
| 28094524 | 10.1021/acs.jmedchem.6b01641 | CHO | 1 |
| 28094524 | 10.1021/acs.jmedchem.6b01641 | Unchecked | 1 |
| 28094524 | 10.1021/acs.jmedchem.6b01641 | Huh-7 | 1 |
Data from ChEMBL 36 via Core Engine