Compound Detail
CHEMBL339240
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Basic Information
| ChEMBL ID | CHEMBL339240 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BETGUEQQQUIULC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
2.32
ALogP
7
HBA
5
HBD
150.5
PSA (Ų)
0.34
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Folylpolyglutamate synthase, mitochondrial CHEMBL3171 | Ki | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Folylpolyglutamate synthase, mitochondrial | Ki | = | 150.0 | nM | 6.82 | Inhibitory activity against hog liver Folyl polyglutamate synthetase (FPGS) | 1433214 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1433214 | 10.1021/jm00100a013 | Folylpolyglutamate synthase, mitochondrial | 4 |
Data from ChEMBL 36 via Core Engine