Compound Detail
CHEMBL2170944
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Basic Information
| ChEMBL ID | CHEMBL2170944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPCVDRWAFFUROT-WBRURWICSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
4.13
ALogP
4
HBA
2
HBD
61.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-6-phosphate 1-dehydrogenase CHEMBL2169726 | IC50 | 5.33 | 5.255 | 4700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucose-6-phosphate 1-dehydrogenase | IC50 | = | 4700.0 | nM | 5.33 | Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 m... | 22813531 |
| Glucose-6-phosphate 1-dehydrogenase | IC50 | = | 6600.0 | nM | 5.18 | Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hr... | 22813531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22813531 | 10.1021/jm300833h | Glucose-6-phosphate 1-dehydrogenase | 3 |
Data from ChEMBL 36 via Core Engine