Compound Detail
CHEMBL325333
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Basic Information
| ChEMBL ID | CHEMBL325333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQRAEWPXWWCRFD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
234.3
MW (Da)
2.12
ALogP
5
HBA
2
HBD
77.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL1809 | IC50 | 6.07 | 5.96 | 860.0 | 2 |
| Dihydrofolate reductase CHEMBL2363 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 860.0 | nM | 6.07 | Inhibition of dihydrofolate reductase in Toxoplasma gondii. | 8230096 |
| Dihydrofolate reductase | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of rat liver dihydrofolate reductase. | 8230096 |
| Dihydrofolate reductase | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of dihydrofolate reductase in pneumocystis carinii. | 8230096 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8230096 | 10.1021/jm00073a009 | Dihydrofolate reductase | 3 |
Data from ChEMBL 36 via Core Engine