Compound Detail
CHEMBL323155
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Basic Information
| ChEMBL ID | CHEMBL323155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJJUOEKXPADXJS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
220.3
MW (Da)
1.73
ALogP
5
HBA
2
HBD
77.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL1809 | IC50 | 5.68 | 5.615 | 2100.0 | 2 |
| Dihydrofolate reductase CHEMBL2363 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of dihydrofolate reductase in pneumocystis carinii. | 8230096 |
| Dihydrofolate reductase | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of dihydrofolate reductase in Toxoplasma gondii. | 8230096 |
| Dihydrofolate reductase | IC50 | = | 3900.0 | nM | 5.41 | Inhibition of rat liver dihydrofolate reductase. | 8230096 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8230096 | 10.1021/jm00073a009 | Dihydrofolate reductase | 3 |
Data from ChEMBL 36 via Core Engine