Compound Detail
CHEMBL5172312
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Basic Information
| ChEMBL ID | CHEMBL5172312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJBHTYKMNQDUAA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
438.7
MW (Da)
5.00
ALogP
4
HBA
4
HBD
55.6
PSA (Ų)
0.18
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-6-phosphate 1-dehydrogenase CHEMBL5347 | EC50 | 6.1 | 6.1 | 800.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucose-6-phosphate 1-dehydrogenase | EC50 | = | 800.0 | nM | 6.1 | Activation of G6PD (unknown origin) expressed in Escherichia coli C43(DE3) cells... | 37974956 |
| Unchecked | EC50 | = | 3000.0 | nM | 5.52 | Activation of human G6PD canton (R459L) mutant assessed as restoration of activi... | 36265019 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37974956 | 10.1039/d3md00399j | Glucose-6-phosphate 1-dehydrogenase | 3 |
| 36265019 | 10.1021/acs.jmedchem.2c01291 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine