Compound Detail
CHEMBL4165870
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Basic Information
| ChEMBL ID | CHEMBL4165870 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUAFUWGZCFIOSV-MRXNPFEDSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
3.93
ALogP
4
HBA
2
HBD
61.4
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase CHEMBL4295620 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.72 | 5.77 | 190.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase | IC50 | = | 190.0 | nM | 6.72 | Competitive inhibition of Plasmodium falciparum G6PD-6PGL using G6P as substrate... | 29407943 |
| Unchecked | IC50 | = | 190.0 | nM | 6.72 | Inhibition of Plasmodium falciparum GluPho | 35239352 |
| Unchecked | IC50 | = | 15300.0 | nM | 4.82 | Inhibition of Plasmodium vivax G6PD | 35239352 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35239352 | 10.1021/acs.jmedchem.1c01577 | Unchecked | 2 |
| 29407943 | 10.1016/j.ejmech.2018.01.044 | Glucose-6-phosphate 1-dehydrogenase | 1 |
| 29407943 | 10.1016/j.ejmech.2018.01.044 | Bifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase | 1 |
Data from ChEMBL 36 via Core Engine