Compound Detail
CHEMBL530228
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Basic Information
| ChEMBL ID | CHEMBL530228 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTWOKQIGBJADIZ-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
1.73
ALogP
6
HBA
2
HBD
127.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.26 | 6.208 | 543.0 | 5 |
| Unchecked CHEMBL612545 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Plasmodium berghei CHEMBL612653 | IC50 | 5.66 | 5.66 | 2170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 543.0 | nM | 6.26 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54... | 29889526 |
| Plasmodium falciparum | IC50 | = | 600.0 | nM | 6.22 | Antimalarial activity: Asexual Blood Stage Plasmodium falciparum 3D7 IC50 (uM) | - |
| Plasmodium falciparum | IC50 | = | 600.0 | nM | 6.22 | Antimalarial activity against Plasmodium falciparum 3D7A infected in RBC assesse... | 29889526 |
| Plasmodium falciparum | IC50 | = | 630.0 | nM | 6.2 | Antimalarial activity: Asexual Blood Stage Plasmodium falciparum Dd2 IC50 (uM) | - |
| Plasmodium falciparum | IC50 | = | 730.0 | nM | 6.14 | Antimalarial activity: Asexual Blood Stage Plasmodium falciparum W2 IC50 (uM) | - |
| Unchecked | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of Plasmodium vivax full length PI4Kbeta after 30 mins by fluorescenc... | 29889526 |
| Plasmodium berghei | IC50 | = | 2170.0 | nM | 5.66 | Antimalarial activity: Liver Stage Plasmodium berghei sporozoite Luciferase assa... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20485427 | 10.1038/nature09107 | Plasmodium falciparum | 4 |
| - | 10.6019/CHEMBL3832761 | Plasmodium falciparum | 4 |
| - | 10.6019/CHEMBL3832761 | Plasmodium berghei | 2 |
| - | 10.6019/CHEMBL3832761 | HepG2 | 2 |
| 29889526 | 10.1021/acs.jmedchem.8b00648 | Plasmodium falciparum | 2 |
| 20485427 | 10.1038/nature09107 | HepG2 | 1 |
| 20485427 | 10.1038/nature09107 | Unchecked | 1 |
| - | 10.6019/CHEMBL3433997 | Solute carrier family 2, facilitated glucose transporter member 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Hexose transporter 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Glucose transporter | 1 |
| - | 10.6019/CHEMBL3987221 | Ferrochelatase, mitochondrial | 1 |
| - | 10.6019/CHEMBL3987221 | Porphobilinogen deaminase | 1 |
| 29889526 | 10.1021/acs.jmedchem.8b00648 | Unchecked | 1 |
| 29889526 | 10.1021/acs.jmedchem.8b00648 | No relevant target | 1 |
| 29889526 | 10.1021/acs.jmedchem.8b00648 | ADMET | 1 |
| - | 10.6019/CHEMBL4513101 | Naegleria gruberi | 1 |
Data from ChEMBL 36 via Core Engine