Compound Detail
CHEMBL348433
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Basic Information
| ChEMBL ID | CHEMBL348433 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYQUNIGGUHMORL-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
336.0
MW (Da)
1.91
ALogP
3
HBA
4
HBD
128.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.87
Ki 1 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphoglycerate kinase CHEMBL2096677 | Ki | 6.48 | 6.48 | 330.0 | 1 |
| Phosphoglycerate kinase CHEMBL2096677 | IC50 | 5.87 | 5.87 | 1340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphoglycerate kinase | Ki | = | 330.0 | nM | 6.48 | Binding affinity was evaluated towards 3-phosphoglycerate kinase at 37 degrees C... | 9871609 |
| Phosphoglycerate kinase | IC50 | = | 1340.0 | nM | 5.87 | Inhibitory activity against 3-phosphoglycerate kinase. | 9871609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871609 | 10.1016/s0960-894x(98)00059-6 | Phosphoglycerate kinase | 3 |
Data from ChEMBL 36 via Core Engine