Compound Detail
CHEMBL2171112
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Basic Information
| ChEMBL ID | CHEMBL2171112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUQQALDDDNMMOJ-PDGQHHTCSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
3.20
ALogP
4
HBA
2
HBD
61.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-6-phosphate 1-dehydrogenase CHEMBL2169726 | IC50 | 4.95 | 4.7275 | 11200.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucose-6-phosphate 1-dehydrogenase | IC50 | = | 11200.0 | nM | 4.95 | Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 m... | 22813531 |
| Glucose-6-phosphate 1-dehydrogenase | IC50 | = | 16700.0 | nM | 4.78 | Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hr... | 22813531 |
| Glucose-6-phosphate 1-dehydrogenase | IC50 | = | 17500.0 | nM | 4.76 | Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hr... | 22813531 |
| Glucose-6-phosphate 1-dehydrogenase | IC50 | = | 38400.0 | nM | 4.42 | Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 m... | 22813531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22813531 | 10.1021/jm300833h | Glucose-6-phosphate 1-dehydrogenase | 6 |
Data from ChEMBL 36 via Core Engine