Compound Detail
CHEMBL5202473
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Basic Information
| ChEMBL ID | CHEMBL5202473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NULUEYPOJZTTTR-ZEBDFXRSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
-3.66
ALogP
8
HBA
6
HBD
175.2
PSA (Ų)
0.21
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-6-phosphate 1-dehydrogenase CHEMBL5347 | Ki | 4.78 | 4.78 | 16800.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.49 | 4.49 | 32400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucose-6-phosphate 1-dehydrogenase | Ki | = | 16800.0 | nM | 4.78 | Binding affinity to human G6PD | 35239352 |
| Unchecked | Ki | = | 32400.0 | nM | 4.49 | Binding affinity to Plasmodium falciparum GluPho | 35239352 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35239352 | 10.1021/acs.jmedchem.1c01577 | Unchecked | 2 |
| 35239352 | 10.1021/acs.jmedchem.1c01577 | Glucose-6-phosphate 1-dehydrogenase | 1 |
Data from ChEMBL 36 via Core Engine