Compound Detail
CHEMBL326200
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL326200 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXUGSMNMVLHYAS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
2.86
ALogP
8
HBA
2
HBD
105.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL1809 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
| Dihydrofolate reductase CHEMBL2363 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 320.0 | nM | 6.5 | Inhibition of dihydrofolate reductase in Toxoplasma gondii. | 8230096 |
| Dihydrofolate reductase | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of rat liver dihydrofolate reductase. | 8230096 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8230096 | 10.1021/jm00073a009 | Dihydrofolate reductase | 4 |
Data from ChEMBL 36 via Core Engine