Compound Detail
CHEMBL2170913
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Basic Information
| ChEMBL ID | CHEMBL2170913 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNFDEEKAWODGRF-STZFKDTASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
3.61
ALogP
5
HBA
2
HBD
70.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-6-phosphate 1-dehydrogenase CHEMBL2169726 | IC50 | 4.3 | 4.3 | 49700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucose-6-phosphate 1-dehydrogenase | IC50 | = | 49700.0 | nM | 4.3 | 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