Compound Detail
CHEMBL4457646
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Basic Information
| ChEMBL ID | CHEMBL4457646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONNXAVGAFQARAO-CQSZACIVSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
4.52
ALogP
3
HBA
2
HBD
71.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D-3-phosphoglycerate dehydrogenase CHEMBL2311243 | IC50 | 7.24 | 6.85 | 58.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D-3-phosphoglycerate dehydrogenase | IC50 | = | 58.0 | nM | 7.24 | Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as... | 31365252 |
| D-3-phosphoglycerate dehydrogenase | IC50 | = | 345.0 | nM | 6.46 | Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as... | 31365252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31365252 | 10.1021/acs.jmedchem.9b00718 | D-3-phosphoglycerate dehydrogenase | 2 |
Data from ChEMBL 36 via Core Engine