Compound Detail
CHEMBL477855
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Basic Information
| ChEMBL ID | CHEMBL477855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMNCHTPRXWQOIZ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
226.2
MW (Da)
0.34
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 5.23 | 5.23 | 5910.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.64 | 4.51 | 23000.0 | 2 |
| Glucose-6-phosphate 1-dehydrogenase CHEMBL5347 | IC50 | 4.26 | 4.26 | 54300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 5910.0 | nM | 5.23 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Plasmodium falciparum | IC50 | = | 23000.0 | nM | 4.64 | Antimalarial activity against Plasmodium falciparum W2 by [3H]hypoxanthine uptak... | 16562832 |
| Plasmodium falciparum | IC50 | = | 42200.0 | nM | 4.38 | Antimalarial activity against Plasmodium falciparum D6 by [3H]hypoxanthine uptak... | 16562832 |
| Glucose-6-phosphate 1-dehydrogenase | IC50 | = | 54300.0 | nM | 4.26 | PUBCHEM_BIOASSAY: Human Glucose-6-Phosphate Dehydrogenase Dose Response Selectiv... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16562832 | 10.1021/np050313d | Plasmodium falciparum | 2 |
| 16562832 | 10.1021/np050313d | Unchecked | 2 |
| 16562832 | 10.1021/np050313d | KB | 1 |
Data from ChEMBL 36 via Core Engine