Compound Detail
CHEMBL322315
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Basic Information
| ChEMBL ID | CHEMBL322315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUIJYXWWCHQIJA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
2.78
ALogP
8
HBA
2
HBD
105.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL1809 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
| Cryptosporidium parvum CHEMBL612855 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Dihydrofolate reductase CHEMBL2363 | IC50 | 4.29 | 4.29 | 51000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 630.0 | nM | 6.2 | Inhibition of dihydrofolate reductase in Toxoplasma gondii. | 8230096 |
| Cryptosporidium parvum | IC50 | = | 2000.0 | nM | 5.7 | Antimicrobial activity against Cryptosporidium parvum | 20185316 |
| Dihydrofolate reductase | IC50 | = | 51000.0 | nM | 4.29 | Inhibition of rat liver dihydrofolate reductase. | 8230096 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8230096 | 10.1021/jm00073a009 | Dihydrofolate reductase | 4 |
| 18605720 | 10.1021/jm800244v | Unchecked | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Cryptosporidium parvum | 1 |
Data from ChEMBL 36 via Core Engine