Compound Detail
CHEMBL4458393
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Basic Information
| ChEMBL ID | CHEMBL4458393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWRWQGAIWWMMBE-CQSZACIVSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
2.44
ALogP
6
HBA
2
HBD
118.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D-3-phosphoglycerate dehydrogenase CHEMBL2311243 | IC50 | 7.6 | 7.0933 | 25.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D-3-phosphoglycerate dehydrogenase | IC50 | = | 25.0 | nM | 7.6 | Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as... | 31365252 |
| D-3-phosphoglycerate dehydrogenase | IC50 | = | 145.0 | nM | 6.84 | Inhibition of N-terminal HIS-tagged and TEV cleavage site containing full length... | - |
| D-3-phosphoglycerate dehydrogenase | IC50 | = | 145.0 | nM | 6.84 | Fluorescence Intensity Assay (250 NAD): Compounds are dispensed onto assay plate... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31365252 | 10.1021/acs.jmedchem.9b00718 | D-3-phosphoglycerate dehydrogenase | 1 |
Data from ChEMBL 36 via Core Engine