Compound Detail
CHEMBL341829
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Basic Information
| ChEMBL ID | CHEMBL341829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWLQAZBHXXNNOB-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
298.1
MW (Da)
0.02
ALogP
4
HBA
6
HBD
155.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Ki 1 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphoglycerate kinase CHEMBL2096677 | Ki | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphoglycerate kinase | Ki | = | 75000.0 | nM | 4.12 | Binding affinity was evaluated towards 3-phosphoglycerate kinase at 37 degrees C... | 9871609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871609 | 10.1016/s0960-894x(98)00059-6 | Phosphoglycerate kinase | 3 |
| 9871609 | 10.1016/s0960-894x(98)00059-6 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine