Compound Detail
CHEMBL322585
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 | CHEMBL322585 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CORRFHRBZLKMLF-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
2.97
ALogP
7
HBA
2
HBD
96.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL1809 | IC50 | 5.92 | 5.7 | 1200.0 | 2 |
| Dihydrofolate reductase CHEMBL1926 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Dihydrofolate reductase CHEMBL2363 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 1200.0 | nM | 5.92 | Inhibitory activity was determined against dihydrofolate reductase in Pneumocyst... | 7490723 |
| Dihydrofolate reductase | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of dihydrofolate reductase in pneumocystis carinii. | 8230096 |
| Dihydrofolate reductase | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of dihydrofolate reductase in Toxoplasma gondii. | 8230096 |
| Dihydrofolate reductase | IC50 | = | 5900.0 | nM | 5.23 | Inhibition of rat liver dihydrofolate reductase. | 8230096 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8230096 | 10.1021/jm00073a009 | Dihydrofolate reductase | 4 |
| 7490723 | 10.1021/jm00024a001 | Dihydrofolate reductase | 1 |
Data from ChEMBL 36 via Core Engine